Open Catalyst OC20

OC20 leaderboard for catalyst and adsorbate relaxation/energy prediction, spanning S2EF, IS2RS, and/or IS2RE task splits.

510rows
task_scoreprimary metric
2026-05-28sampled

Metadata

ID
open_catalyst_oc20
Category
Materials
Release
Unknown

Metrics

Task Primary Score, Energy MAE (lower is better), Forces MAE (lower is better), Energy and Forces within Threshold, Forces Cosine, Forces below Threshold, Average Distance within Threshold, Average Forces below Threshold, Energy within Threshold

Latest Results

Rows are imported from the official Open Catalyst static leaderboard JSON. Each result is task- and split-specific because the source publishes separate task leaderboards.

Rank Subject Task Primary Score Model Match Provenance Sampled
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, Average) 6.53 S2EF Average primary score — Imported 2026-05-28
2 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, Average) 5.79 S2EF Average primary score — Imported 2026-05-28
3 EquiformerV2 (λᴇ=2) -- All+MD (S2EF, Average) 5.07 S2EF Average primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (S2EF, Average) 5.23 S2EF Average primary score — Imported 2026-05-28
5 eSCN-All-MD (S2EF, Average) 4.11 S2EF Average primary score — Imported 2026-05-28
6 SCN (S2EF, Average) 2.89 S2EF Average primary score — Imported 2026-05-28
7 GemNet-OC-Large-MD-All (S2EF, Average) 2.97 S2EF Average primary score — Imported 2026-05-28
8 GemNet-XL (S2EF, Average) 1.81 S2EF Average primary score — Imported 2026-05-28
9 GemNet-OC-All (S2EF, Average) 2.5 S2EF Average primary score — Imported 2026-05-28
10 GemNet-T-EFwT-All (S2EF, Average) 1.2 S2EF Average primary score — Imported 2026-05-28
11 spinconv-force-centric-all (S2EF, Average) 0.45 S2EF Average primary score — Imported 2026-05-28
12 ForceNet-Large-All (S2EF, Average) 0.01 S2EF Average primary score — Imported 2026-05-28
13 DimeNet++-10.7M-Forceonly-All (S2EF, Average) 0 S2EF Average primary score — Imported 2026-05-28
14 spinconv-energy-centric-fonly-all (S2EF, Average) 0.01 S2EF Average primary score — Imported 2026-05-28
15 ForceNet-All (S2EF, Average) 0.01 S2EF Average primary score — Imported 2026-05-28
16 DimeNet++-1.8M-Forceonly-All (S2EF, Average) 0 S2EF Average primary score — Imported 2026-05-28
17 spinconv-energy-centric-all (S2EF, Average) 0.16 S2EF Average primary score — Imported 2026-05-28
18 DimeNet++-1.8M-EFwT-All (S2EF, Average) 0.05 S2EF Average primary score — Imported 2026-05-28
19 SchNet-9M-Forceonly-All (S2EF, Average) 0 S2EF Average primary score — Imported 2026-05-28
20 MEGNet-2Mil (S2EF, Average) 0 S2EF Average primary score — Imported 2026-05-28
21 EGNN-2Mil (S2EF, Average) 0 S2EF Average primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, ID) 11.25 S2EF ID primary score — Imported 2026-05-28
2 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, ID) 10 S2EF ID primary score — Imported 2026-05-28
3 EquiformerV2 (λᴇ=2) -- All+MD (S2EF, ID) 9.04 S2EF ID primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (S2EF, ID) 9.11 S2EF ID primary score — Imported 2026-05-28
5 eSCN-All-MD (S2EF, ID) 6.99 S2EF ID primary score — Imported 2026-05-28
6 SCN (S2EF, ID) 4.71 S2EF ID primary score — Imported 2026-05-28
7 GemNet-OC-Large-MD-All (S2EF, ID) 5.47 S2EF ID primary score — Imported 2026-05-28
8 GemNet-OC-All (S2EF, ID) 4.7 S2EF ID primary score — Imported 2026-05-28
9 GemNet-XL (S2EF, ID) 3.3 S2EF ID primary score — Imported 2026-05-28
10 GemNet-T-EFwT-All (S2EF, ID) 2.4 S2EF ID primary score — Imported 2026-05-28
11 spinconv-force-centric-all (S2EF, ID) 0.82 S2EF ID primary score — Imported 2026-05-28
12 ForceNet-Large-All (S2EF, ID) 0.02 S2EF ID primary score — Imported 2026-05-28
13 DimeNet++-10.7M-Forceonly-All (S2EF, ID) 0 S2EF ID primary score — Imported 2026-05-28
14 spinconv-energy-centric-fonly-all (S2EF, ID) 0.01 S2EF ID primary score — Imported 2026-05-28
15 ForceNet-All (S2EF, ID) 0.01 S2EF ID primary score — Imported 2026-05-28
16 DimeNet++-1.8M-Forceonly-All (S2EF, ID) 0 S2EF ID primary score — Imported 2026-05-28
17 spinconv-energy-centric-all (S2EF, ID) 0.3 S2EF ID primary score — Imported 2026-05-28
18 SchNet-9M-Forceonly-All (S2EF, ID) 0 S2EF ID primary score — Imported 2026-05-28
19 DimeNet++-1.8M-EFwT-All (S2EF, ID) 0.1 S2EF ID primary score — Imported 2026-05-28
20 MEGNet-2Mil (S2EF, ID) 0 S2EF ID primary score — Imported 2026-05-28
21 EGNN-2Mil (S2EF, ID) 0 S2EF ID primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, OOD Ads) 7.26 S2EF OOD Ads primary score — Imported 2026-05-28
2 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, OOD Ads) 5.43 S2EF OOD Ads primary score — Imported 2026-05-28
3 EquiformerV2 (λᴇ=2) -- All+MD (S2EF, OOD Ads) 4.94 S2EF OOD Ads primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (S2EF, OOD Ads) 5.32 S2EF OOD Ads primary score — Imported 2026-05-28
5 eSCN-All-MD (S2EF, OOD Ads) 4.41 S2EF OOD Ads primary score — Imported 2026-05-28
6 SCN (S2EF, OOD Ads) 3.06 S2EF OOD Ads primary score — Imported 2026-05-28
7 GemNet-OC-Large-MD-All (S2EF, OOD Ads) 3.18 S2EF OOD Ads primary score — Imported 2026-05-28
8 GemNet-OC-All (S2EF, OOD Ads) 2.57 S2EF OOD Ads primary score — Imported 2026-05-28
9 GemNet-XL (S2EF, OOD Ads) 1.62 S2EF OOD Ads primary score — Imported 2026-05-28
10 GemNet-T-EFwT-All (S2EF, OOD Ads) 1.15 S2EF OOD Ads primary score — Imported 2026-05-28
11 spinconv-force-centric-all (S2EF, OOD Ads) 0.38 S2EF OOD Ads primary score — Imported 2026-05-28
12 ForceNet-Large-All (S2EF, OOD Ads) 0.01 S2EF OOD Ads primary score — Imported 2026-05-28
13 DimeNet++-10.7M-Forceonly-All (S2EF, OOD Ads) 0 S2EF OOD Ads primary score — Imported 2026-05-28
14 ForceNet-All (S2EF, OOD Ads) 0.01 S2EF OOD Ads primary score — Imported 2026-05-28
15 spinconv-energy-centric-fonly-all (S2EF, OOD Ads) 0.01 S2EF OOD Ads primary score — Imported 2026-05-28
16 DimeNet++-1.8M-Forceonly-All (S2EF, OOD Ads) 0 S2EF OOD Ads primary score — Imported 2026-05-28
17 spinconv-energy-centric-all (S2EF, OOD Ads) 0.12 S2EF OOD Ads primary score — Imported 2026-05-28
18 DimeNet++-1.8M-EFwT-All (S2EF, OOD Ads) 0.03 S2EF OOD Ads primary score — Imported 2026-05-28
19 SchNet-9M-Forceonly-All (S2EF, OOD Ads) 0 S2EF OOD Ads primary score — Imported 2026-05-28
20 MEGNet-2Mil (S2EF, OOD Ads) 0 S2EF OOD Ads primary score — Imported 2026-05-28
21 EGNN-2Mil (S2EF, OOD Ads) 0 S2EF OOD Ads primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, OOD Cat) 5.45 S2EF OOD Cat primary score — Imported 2026-05-28
2 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, OOD Cat) 5.11 S2EF OOD Cat primary score — Imported 2026-05-28
3 EquiformerV2 (λᴇ=2) -- All+MD (S2EF, OOD Cat) 4.4 S2EF OOD Cat primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (S2EF, OOD Cat) 4.5 S2EF OOD Cat primary score — Imported 2026-05-28
5 eSCN-All-MD (S2EF, OOD Cat) 3.49 S2EF OOD Cat primary score — Imported 2026-05-28
6 SCN (S2EF, OOD Cat) 2.61 S2EF OOD Cat primary score — Imported 2026-05-28
7 GemNet-OC-Large-MD-All (S2EF, OOD Cat) 2.29 S2EF OOD Cat primary score — Imported 2026-05-28
8 GemNet-XL (S2EF, OOD Cat) 1.72 S2EF OOD Cat primary score — Imported 2026-05-28
9 GemNet-OC-All (S2EF, OOD Cat) 1.95 S2EF OOD Cat primary score — Imported 2026-05-28
10 GemNet-T-EFwT-All (S2EF, OOD Cat) 0.93 S2EF OOD Cat primary score — Imported 2026-05-28
11 spinconv-force-centric-all (S2EF, OOD Cat) 0.46 S2EF OOD Cat primary score — Imported 2026-05-28
12 ForceNet-Large-All (S2EF, OOD Cat) 0.01 S2EF OOD Cat primary score — Imported 2026-05-28
13 DimeNet++-10.7M-Forceonly-All (S2EF, OOD Cat) 0 S2EF OOD Cat primary score — Imported 2026-05-28
14 spinconv-energy-centric-fonly-all (S2EF, OOD Cat) 0.01 S2EF OOD Cat primary score — Imported 2026-05-28
15 ForceNet-All (S2EF, OOD Cat) 0.01 S2EF OOD Cat primary score — Imported 2026-05-28
16 DimeNet++-1.8M-Forceonly-All (S2EF, OOD Cat) 0 S2EF OOD Cat primary score — Imported 2026-05-28
17 spinconv-energy-centric-all (S2EF, OOD Cat) 0.19 S2EF OOD Cat primary score — Imported 2026-05-28
18 DimeNet++-1.8M-EFwT-All (S2EF, OOD Cat) 0.05 S2EF OOD Cat primary score — Imported 2026-05-28
19 SchNet-9M-Forceonly-All (S2EF, OOD Cat) 0 S2EF OOD Cat primary score — Imported 2026-05-28
20 MEGNet-2Mil (S2EF, OOD Cat) 0 S2EF OOD Cat primary score — Imported 2026-05-28
21 EGNN-2Mil (S2EF, OOD Cat) 0 S2EF OOD Cat primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, OOD Both) 2.51 S2EF OOD Both primary score — Imported 2026-05-28
2 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (S2EF, OOD Both) 2.29 S2EF OOD Both primary score — Imported 2026-05-28
3 EquiformerV2 (λᴇ=2) -- All+MD (S2EF, OOD Both) 1.89 S2EF OOD Both primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (S2EF, OOD Both) 1.99 S2EF OOD Both primary score — Imported 2026-05-28
5 eSCN-All-MD (S2EF, OOD Both) 1.57 S2EF OOD Both primary score — Imported 2026-05-28
6 SCN (S2EF, OOD Both) 1.2 S2EF OOD Both primary score — Imported 2026-05-28
7 GemNet-OC-Large-MD-All (S2EF, OOD Both) 0.93 S2EF OOD Both primary score — Imported 2026-05-28
8 GemNet-XL (S2EF, OOD Both) 0.61 S2EF OOD Both primary score — Imported 2026-05-28
9 GemNet-OC-All (S2EF, OOD Both) 0.79 S2EF OOD Both primary score — Imported 2026-05-28
10 GemNet-T-EFwT-All (S2EF, OOD Both) 0.3 S2EF OOD Both primary score — Imported 2026-05-28
11 spinconv-force-centric-all (S2EF, OOD Both) 0.14 S2EF OOD Both primary score — Imported 2026-05-28
12 DimeNet++-10.7M-Forceonly-All (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
13 ForceNet-Large-All (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
14 spinconv-energy-centric-fonly-all (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
15 ForceNet-All (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
16 DimeNet++-1.8M-Forceonly-All (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
17 spinconv-energy-centric-all (S2EF, OOD Both) 0.04 S2EF OOD Both primary score — Imported 2026-05-28
18 DimeNet++-1.8M-EFwT-All (S2EF, OOD Both) 0.01 S2EF OOD Both primary score — Imported 2026-05-28
19 SchNet-9M-Forceonly-All (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
20 MEGNet-2Mil (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
21 EGNN-2Mil (S2EF, OOD Both) 0 S2EF OOD Both primary score — Imported 2026-05-28
1 EquiformerV2 (λᴇ=2) -- All+MD (IS2RS, Average) 55.45 IS2RS Average primary score — Imported 2026-05-28
2 EquiformerV2 (λᴇ=4) -- All+MD (IS2RS, Average) 54.41 IS2RS Average primary score — Imported 2026-05-28
3 eSCN-All-MD (IS2RS, Average) 50.3 IS2RS Average primary score — Imported 2026-05-28
4 SCN-MD-All (IS2RS, Average) 43.64 IS2RS Average primary score — Imported 2026-05-28
5 GemNet-OC-Large-Relaxation-MD-All (IS2RS, Average) 40.55 IS2RS Average primary score — Imported 2026-05-28
6 GemNet-OC-Relaxation-All (IS2RS, Average) 35.27 IS2RS Average primary score — Imported 2026-05-28
7 GemNet-XL (IS2RS, Average) 30.82 IS2RS Average primary score — Imported 2026-05-28
8 GemNet-T-EFwT-All (IS2RS, Average) 27.6 IS2RS Average primary score — Imported 2026-05-28
9 DimeNet++-10.7M-Forceonly-All (IS2RS, Average) 21.82 IS2RS Average primary score — Imported 2026-05-28
10 DimeNet++-1.8M-Forceonly-20M-MD (IS2RS, Average) 17.15 IS2RS Average primary score — Imported 2026-05-28
11 spinconv-force-centric-all (IS2RS, Average) 16.67 IS2RS Average primary score — Imported 2026-05-28
12 DimeNet++-1.8M-Forceonly-All (IS2RS, Average) 15.24 IS2RS Average primary score — Imported 2026-05-28
13 DimeNet++-1.8M-Forceonly-20M-Rattled (IS2RS, Average) 12.55 IS2RS Average primary score — Imported 2026-05-28
14 SchNet-9M-Forceonly-20M-MD (IS2RS, Average) 8.98 IS2RS Average primary score — Imported 2026-05-28
15 SchNet-9M-Forceonly-20M-Rattled (IS2RS, Average) 5.21 IS2RS Average primary score — Imported 2026-05-28
16 ForceNet-Direct (IS2RS, Average) 0.09 IS2RS Average primary score — Imported 2026-05-28
1 EquiformerV2 (λᴇ=4) -- All+MD (IS2RS, ID) 58.99 IS2RS ID primary score — Imported 2026-05-28
2 EquiformerV2 (λᴇ=2) -- All+MD (IS2RS, ID) 58.3 IS2RS ID primary score — Imported 2026-05-28
3 eSCN-All-MD (IS2RS, ID) 54.1 IS2RS ID primary score — Imported 2026-05-28
4 SCN-MD-All (IS2RS, ID) 47.92 IS2RS ID primary score — Imported 2026-05-28
5 GemNet-OC-Large-Relaxation-MD-All (IS2RS, ID) 47.37 IS2RS ID primary score — Imported 2026-05-28
6 GemNet-OC-Relaxation-All (IS2RS, ID) 40.69 IS2RS ID primary score — Imported 2026-05-28
7 GemNet-XL (IS2RS, ID) 34.61 IS2RS ID primary score — Imported 2026-05-28
8 GemNet-T-EFwT-All (IS2RS, ID) 33.75 IS2RS ID primary score — Imported 2026-05-28
9 DimeNet++-10.7M-Forceonly-All (IS2RS, ID) 25.65 IS2RS ID primary score — Imported 2026-05-28
10 spinconv-force-centric-all (IS2RS, ID) 21.1 IS2RS ID primary score — Imported 2026-05-28
11 DimeNet++-1.8M-Forceonly-20M-MD (IS2RS, ID) 21.08 IS2RS ID primary score — Imported 2026-05-28
12 DimeNet++-1.8M-Forceonly-All (IS2RS, ID) 17.53 IS2RS ID primary score — Imported 2026-05-28
13 DimeNet++-1.8M-Forceonly-20M-Rattled (IS2RS, ID) 15.64 IS2RS ID primary score — Imported 2026-05-28
14 SchNet-9M-Forceonly-20M-MD (IS2RS, ID) 13.24 IS2RS ID primary score — Imported 2026-05-28
15 SchNet-9M-Forceonly-20M-Rattled (IS2RS, ID) 8.02 IS2RS ID primary score — Imported 2026-05-28
16 ForceNet-Direct (IS2RS, ID) 0.32 IS2RS ID primary score — Imported 2026-05-28
1 EquiformerV2 (λᴇ=2) -- All+MD (IS2RS, OOD Ads) 55.28 IS2RS OOD Ads primary score — Imported 2026-05-28
2 EquiformerV2 (λᴇ=4) -- All+MD (IS2RS, OOD Ads) 53.73 IS2RS OOD Ads primary score — Imported 2026-05-28
3 eSCN-All-MD (IS2RS, OOD Ads) 50.01 IS2RS OOD Ads primary score — Imported 2026-05-28
4 SCN-MD-All (IS2RS, OOD Ads) 43 IS2RS OOD Ads primary score — Imported 2026-05-28
5 GemNet-OC-Large-Relaxation-MD-All (IS2RS, OOD Ads) 40.37 IS2RS OOD Ads primary score — Imported 2026-05-28
6 GemNet-OC-Relaxation-All (IS2RS, OOD Ads) 36.1 IS2RS OOD Ads primary score — Imported 2026-05-28
7 GemNet-XL (IS2RS, OOD Ads) 30.32 IS2RS OOD Ads primary score — Imported 2026-05-28
8 GemNet-T-EFwT-All (IS2RS, OOD Ads) 26.84 IS2RS OOD Ads primary score — Imported 2026-05-28
9 DimeNet++-10.7M-Forceonly-All (IS2RS, OOD Ads) 20.73 IS2RS OOD Ads primary score — Imported 2026-05-28
10 DimeNet++-1.8M-Forceonly-20M-MD (IS2RS, OOD Ads) 17.05 IS2RS OOD Ads primary score — Imported 2026-05-28
11 spinconv-force-centric-all (IS2RS, OOD Ads) 15.7 IS2RS OOD Ads primary score — Imported 2026-05-28
12 DimeNet++-1.8M-Forceonly-All (IS2RS, OOD Ads) 14.67 IS2RS OOD Ads primary score — Imported 2026-05-28
13 DimeNet++-1.8M-Forceonly-20M-Rattled (IS2RS, OOD Ads) 12.57 IS2RS OOD Ads primary score — Imported 2026-05-28
14 SchNet-9M-Forceonly-20M-MD (IS2RS, OOD Ads) 8.24 IS2RS OOD Ads primary score — Imported 2026-05-28
15 SchNet-9M-Forceonly-20M-Rattled (IS2RS, OOD Ads) 4.59 IS2RS OOD Ads primary score — Imported 2026-05-28
16 ForceNet-Direct (IS2RS, OOD Ads) 0 IS2RS OOD Ads primary score — Imported 2026-05-28
1 EquiformerV2 (λᴇ=2) -- All+MD (IS2RS, OOD Cat) 52.52 IS2RS OOD Cat primary score — Imported 2026-05-28
2 EquiformerV2 (λᴇ=4) -- All+MD (IS2RS, OOD Cat) 52.23 IS2RS OOD Cat primary score — Imported 2026-05-28
3 eSCN-All-MD (IS2RS, OOD Cat) 47.59 IS2RS OOD Cat primary score — Imported 2026-05-28
4 SCN-MD-All (IS2RS, OOD Cat) 42.19 IS2RS OOD Cat primary score — Imported 2026-05-28
5 GemNet-OC-Large-Relaxation-MD-All (IS2RS, OOD Cat) 37.35 IS2RS OOD Cat primary score — Imported 2026-05-28
6 GemNet-OC-Relaxation-All (IS2RS, OOD Cat) 32.99 IS2RS OOD Cat primary score — Imported 2026-05-28
7 GemNet-XL (IS2RS, OOD Cat) 29.33 IS2RS OOD Cat primary score — Imported 2026-05-28
8 GemNet-T-EFwT-All (IS2RS, OOD Cat) 24.69 IS2RS OOD Cat primary score — Imported 2026-05-28
9 DimeNet++-10.7M-Forceonly-All (IS2RS, OOD Cat) 20.24 IS2RS OOD Cat primary score — Imported 2026-05-28
10 DimeNet++-1.8M-Forceonly-20M-MD (IS2RS, OOD Cat) 16.43 IS2RS OOD Cat primary score — Imported 2026-05-28
11 spinconv-force-centric-all (IS2RS, OOD Cat) 15.86 IS2RS OOD Cat primary score — Imported 2026-05-28
12 DimeNet++-1.8M-Forceonly-All (IS2RS, OOD Cat) 14.32 IS2RS OOD Cat primary score — Imported 2026-05-28
13 DimeNet++-1.8M-Forceonly-20M-Rattled (IS2RS, OOD Cat) 11.74 IS2RS OOD Cat primary score — Imported 2026-05-28
14 SchNet-9M-Forceonly-20M-MD (IS2RS, OOD Cat) 8.06 IS2RS OOD Cat primary score — Imported 2026-05-28
15 SchNet-9M-Forceonly-20M-Rattled (IS2RS, OOD Cat) 4.46 IS2RS OOD Cat primary score — Imported 2026-05-28
16 ForceNet-Direct (IS2RS, OOD Cat) 0 IS2RS OOD Cat primary score — Imported 2026-05-28
1 EquiformerV2 (λᴇ=2) -- All+MD (IS2RS, OOD Both) 55.69 IS2RS OOD Both primary score — Imported 2026-05-28
2 EquiformerV2 (λᴇ=4) -- All+MD (IS2RS, OOD Both) 52.71 IS2RS OOD Both primary score — Imported 2026-05-28
3 eSCN-All-MD (IS2RS, OOD Both) 49.48 IS2RS OOD Both primary score — Imported 2026-05-28
4 SCN-MD-All (IS2RS, OOD Both) 41.45 IS2RS OOD Both primary score — Imported 2026-05-28
5 GemNet-OC-Large-Relaxation-MD-All (IS2RS, OOD Both) 37.13 IS2RS OOD Both primary score — Imported 2026-05-28
6 GemNet-OC-Relaxation-All (IS2RS, OOD Both) 31.32 IS2RS OOD Both primary score — Imported 2026-05-28
7 GemNet-XL (IS2RS, OOD Both) 29.02 IS2RS OOD Both primary score — Imported 2026-05-28
8 GemNet-T-EFwT-All (IS2RS, OOD Both) 25.11 IS2RS OOD Both primary score — Imported 2026-05-28
9 DimeNet++-10.7M-Forceonly-All (IS2RS, OOD Both) 20.67 IS2RS OOD Both primary score — Imported 2026-05-28
10 DimeNet++-1.8M-Forceonly-All (IS2RS, OOD Both) 14.43 IS2RS OOD Both primary score — Imported 2026-05-28
11 DimeNet++-1.8M-Forceonly-20M-MD (IS2RS, OOD Both) 14.02 IS2RS OOD Both primary score — Imported 2026-05-28
12 spinconv-force-centric-all (IS2RS, OOD Both) 14.01 IS2RS OOD Both primary score — Imported 2026-05-28
13 DimeNet++-1.8M-Forceonly-20M-Rattled (IS2RS, OOD Both) 10.23 IS2RS OOD Both primary score — Imported 2026-05-28
14 SchNet-9M-Forceonly-20M-MD (IS2RS, OOD Both) 6.39 IS2RS OOD Both primary score — Imported 2026-05-28
15 SchNet-9M-Forceonly-20M-Rattled (IS2RS, OOD Both) 3.75 IS2RS OOD Both primary score — Imported 2026-05-28
16 ForceNet-Direct (IS2RS, OOD Both) 0.03 IS2RS OOD Both primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, Average) 18.78 IS2RE Average primary score — Imported 2026-05-28
2 EquiformerV2 - 31M - LBFGS Fix (IS2RE, Average) 16.8 IS2RE Average primary score — Imported 2026-05-28
3 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, Average) 17.03 IS2RE Average primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (IS2RE, Average) 16.36 IS2RE Average primary score — Imported 2026-05-28
5 EquiformerV2 (λᴇ=2) -- All+MD (IS2RE, Average) 15.36 IS2RE Average primary score — Imported 2026-05-28
6 SCN (relaxation) (IS2RE, Average) 14.25 IS2RE Average primary score — Imported 2026-05-28
7 eSCN-All-MD (relaxation) (IS2RE, Average) 15.64 IS2RE Average primary score — Imported 2026-05-28
8 GeoEnsemble (Relax, S2EF-2M data) (IS2RE, Average) 10.11 IS2RE Average primary score — Imported 2026-05-28
9 GemNet-OC-Large-force relaxations + GemNet-OC-Large-energy (IS2RE, Average) 14.97 IS2RE Average primary score — Imported 2026-05-28
10 GemNet-XL (IS2RE, Average) 11.13 IS2RE Average primary score — Imported 2026-05-28
11 GemNet-T-EFwT-Relaxation-All (IS2RE, Average) 9.86 IS2RE Average primary score — Imported 2026-05-28
12 Uni-Mol+ (Direct) (IS2RE, Average) 8.23 IS2RE Average primary score — Imported 2026-05-28
13 TGT (Direct, IS2RE Data Only) (IS2RE, Average) 8.3 IS2RE Average primary score — Imported 2026-05-28
14 DRFormer (Direct, IS2RE data only) (IS2RE, Average) 6.71 IS2RE Average primary score — Imported 2026-05-28
15 spinconv-force-centric-relaxation-all (IS2RE, Average) 7.9 IS2RE Average primary score — Imported 2026-05-28
16 moleformer (IS2RE, Average) 6.48 IS2RE Average primary score — Imported 2026-05-28
17 moleformer (IS2RE, Average) 6.36 IS2RE Average primary score — Imported 2026-05-28
18 GemNet-XL (Finetuned) (IS2RE, Average) 5.6 IS2RE Average primary score — Imported 2026-05-28
19 Equiformer (IS2RE training data only with IS2RS and Noisy Nodes. Direct.) (IS2RE, Average) 5.66 IS2RE Average primary score — Imported 2026-05-28
20 3d-Graphormer (Direct, IS2RE data only) (IS2RE, Average) 6.1 IS2RE Average primary score — Imported 2026-05-28
21 GNS + Noisy Nodes (IS2RE Only) (IS2RE, Average) 6.5 IS2RE Average primary score — Imported 2026-05-28
22 3 term MI (IS2RE, Average) 5.62 IS2RE Average primary score — Imported 2026-05-28
23 GNS + Noisy Nodes (Direct) (IS2RE, Average) 4.51 IS2RE Average primary score — Imported 2026-05-28
24 DimeNet++-Large-Force-only Relaxations + DimeNet++-Energy-only (IS2RE, Average) 4.98 IS2RE Average primary score — Imported 2026-05-28
25 DimeNet++-1.8M-fonly-eonly-relaxation-All (IS2RE, Average) 4.83 IS2RE Average primary score — Imported 2026-05-28
26 Equiformer (IS2RE training data only without IS2RS or data augmentation. Direct.) (IS2RE, Average) 3.73 IS2RE Average primary score — Imported 2026-05-28
27 DimeNet++-fixed-mish-831K-All (IS2RE, Average) 3.55 IS2RE Average primary score — Imported 2026-05-28
28 SphereNet+ (IS2RE data only) (IS2RE, Average) 3.56 IS2RE Average primary score — Imported 2026-05-28
29 DimeNet++-fixed-mish-831K-All-surface (IS2RE, Average) 3.46 IS2RE Average primary score — Imported 2026-05-28
30 Steerable GNN (IS2RE data only, no relaxations) (IS2RE, Average) 3.84 IS2RE Average primary score — Imported 2026-05-28
31 method9 (IS2RE, Average) 3.44 IS2RE Average primary score — Imported 2026-05-28
32 SphereNet (IS2RE training data only without IS2RS or data augmentation. Direct) (IS2RE, Average) 3.32 IS2RE Average primary score — Imported 2026-05-28
33 OrbNet-256N64E-ofm (IS2RE only) (IS2RE, Average) 3.19 IS2RE Average primary score — Imported 2026-05-28
34 spinconv-ewt-all (IS2RE, Average) 3.12 IS2RE Average primary score — Imported 2026-05-28
35 DimeNet++-1.8M-All (IS2RE, Average) 3.21 IS2RE Average primary score — Imported 2026-05-28
36 ComENet (IS2RE data only, energy loss only, 1 GPU, 10h training) (IS2RE, Average) 3.41 IS2RE Average primary score — Imported 2026-05-28
37 OrbNet-256N64E-ofm-surface (IS2RE Only) (IS2RE, Average) 3 IS2RE Average primary score — Imported 2026-05-28
38 GemNet-OC+Electron (IS2RE, Average) 3.34 IS2RE Average primary score — Imported 2026-05-28
39 DimeNet++-atomlayer-All (IS2RE, Average) 3.6 IS2RE Average primary score — Imported 2026-05-28
40 (IS2RE, Average) 3.09 IS2RE Average primary score — Imported 2026-05-28
41 EdgeUpdateNet (IS2RE data only) (IS2RE, Average) 2.93 IS2RE Average primary score — Imported 2026-05-28
42 OrbNet-256N64E-atomic-number (IS2RE data only) (IS2RE, Average) 3.07 IS2RE Average primary score — Imported 2026-05-28
43 EnergyNet (IS2RE, Average) 2.73 IS2RE Average primary score — Imported 2026-05-28
44 OrbNet-256N64E-period-group (IS2RE data only) (IS2RE, Average) 2.98 IS2RE Average primary score — Imported 2026-05-28
45 SchNet-1.2M-All (IS2RE, Average) 2.61 IS2RE Average primary score — Imported 2026-05-28
46 DimeNet++-Relaxations (IS2RE, Average) 3.72 IS2RE Average primary score — Imported 2026-05-28
47 ALIGNN-10k (IS2RE, Average) 2.46 IS2RE Average primary score — Imported 2026-05-28
48 (IS2RE, Average) 2.33 IS2RE Average primary score — Imported 2026-05-28
49 EGNN (IS2RE, Average) 2.55 IS2RE Average primary score — Imported 2026-05-28
50 SchNet-fonly-eonly-relaxation-All (IS2RE, Average) 3.31 IS2RE Average primary score — Imported 2026-05-28
51 CGCNN-5M-All (IS2RE, Average) 2.61 IS2RE Average primary score — Imported 2026-05-28
52 Regular Dimenet++ 10k (IS2RE, Average) 2.18 IS2RE Average primary score — Imported 2026-05-28
53 DNN++ EXP Mod (IS2RE, Average) 1.97 IS2RE Average primary score — Imported 2026-05-28
54 (IS2RE, Average) 1.97 IS2RE Average primary score — Imported 2026-05-28
55 MEGNet (IS2RE, Average) 2.7 IS2RE Average primary score — Imported 2026-05-28
56 (IS2RE, Average) 1.49 IS2RE Average primary score — Imported 2026-05-28
57 (IS2RE, Average) 1.52 IS2RE Average primary score — Imported 2026-05-28
58 (IS2RE, Average) 1.46 IS2RE Average primary score — Imported 2026-05-28
59 (IS2RE, Average) 1.51 IS2RE Average primary score — Imported 2026-05-28
60 (IS2RE, Average) 1.38 IS2RE Average primary score — Imported 2026-05-28
61 (IS2RE, Average) 1.34 IS2RE Average primary score — Imported 2026-05-28
62 (IS2RE, Average) 1.33 IS2RE Average primary score — Imported 2026-05-28
63 (IS2RE, Average) 0.84 IS2RE Average primary score — Imported 2026-05-28
64 (IS2RE, Average) 0.79 IS2RE Average primary score — Imported 2026-05-28
65 (IS2RE, Average) 0.79 IS2RE Average primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, ID) 24.83 IS2RE ID primary score — Imported 2026-05-28
2 EquiformerV2 - 31M - LBFGS Fix (IS2RE, ID) 20.51 IS2RE ID primary score — Imported 2026-05-28
3 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, ID) 22.2 IS2RE ID primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (IS2RE, ID) 21.26 IS2RE ID primary score — Imported 2026-05-28
5 EquiformerV2 (λᴇ=2) -- All+MD (IS2RE, ID) 20.25 IS2RE ID primary score — Imported 2026-05-28
6 eSCN-All-MD (relaxation) (IS2RE, ID) 19.2 IS2RE ID primary score — Imported 2026-05-28
7 SCN (relaxation) (IS2RE, ID) 15.89 IS2RE ID primary score — Imported 2026-05-28
8 GemNet-OC-Large-force relaxations + GemNet-OC-Large-energy (IS2RE, ID) 18.39 IS2RE ID primary score — Imported 2026-05-28
9 GeoEnsemble (Relax, S2EF-2M data) (IS2RE, ID) 11.88 IS2RE ID primary score — Imported 2026-05-28
10 Uni-Mol+ (Direct) (IS2RE, ID) 11.29 IS2RE ID primary score — Imported 2026-05-28
11 GemNet-XL (IS2RE, ID) 13.25 IS2RE ID primary score — Imported 2026-05-28
12 DRFormer (Direct, IS2RE data only) (IS2RE, ID) 9.34 IS2RE ID primary score — Imported 2026-05-28
13 TGT (Direct, IS2RE Data Only) (IS2RE, ID) 11.5 IS2RE ID primary score — Imported 2026-05-28
14 GemNet-T-EFwT-Relaxation-All (IS2RE, ID) 12.37 IS2RE ID primary score — Imported 2026-05-28
15 3d-Graphormer (Direct, IS2RE data only) (IS2RE, ID) 8.97 IS2RE ID primary score — Imported 2026-05-28
16 moleformer (IS2RE, ID) 8.65 IS2RE ID primary score — Imported 2026-05-28
17 moleformer (IS2RE, ID) 8.79 IS2RE ID primary score — Imported 2026-05-28
18 Equiformer (IS2RE training data only with IS2RS and Noisy Nodes. Direct.) (IS2RE, ID) 7.71 IS2RE ID primary score — Imported 2026-05-28
19 GemNet-XL (Finetuned) (IS2RE, ID) 7.52 IS2RE ID primary score — Imported 2026-05-28
20 spinconv-force-centric-relaxation-all (IS2RE, ID) 9.4 IS2RE ID primary score — Imported 2026-05-28
21 GNS + Noisy Nodes (IS2RE Only) (IS2RE, ID) 9.12 IS2RE ID primary score — Imported 2026-05-28
22 3 term MI (IS2RE, ID) 7.6 IS2RE ID primary score — Imported 2026-05-28
23 GNS + Noisy Nodes (Direct) (IS2RE, ID) 5.71 IS2RE ID primary score — Imported 2026-05-28
24 DimeNet++-Large-Force-only Relaxations + DimeNet++-Energy-only (IS2RE, ID) 6.57 IS2RE ID primary score — Imported 2026-05-28
25 Equiformer (IS2RE training data only without IS2RS or data augmentation. Direct.) (IS2RE, ID) 5.14 IS2RE ID primary score — Imported 2026-05-28
26 DimeNet++-1.8M-fonly-eonly-relaxation-All (IS2RE, ID) 6.12 IS2RE ID primary score — Imported 2026-05-28
27 SphereNet+ (IS2RE data only) (IS2RE, ID) 4.98 IS2RE ID primary score — Imported 2026-05-28
28 Steerable GNN (IS2RE data only, no relaxations) (IS2RE, ID) 5.37 IS2RE ID primary score — Imported 2026-05-28
29 ComENet (IS2RE data only, energy loss only, 1 GPU, 10h training) (IS2RE, ID) 4.89 IS2RE ID primary score — Imported 2026-05-28
30 method9 (IS2RE, ID) 4.52 IS2RE ID primary score — Imported 2026-05-28
31 DimeNet++-fixed-mish-831K-All-surface (IS2RE, ID) 4.63 IS2RE ID primary score — Imported 2026-05-28
32 DimeNet++-atomlayer-All (IS2RE, ID) 4.89 IS2RE ID primary score — Imported 2026-05-28
33 spinconv-ewt-all (IS2RE, ID) 4.08 IS2RE ID primary score — Imported 2026-05-28
34 DimeNet++-fixed-mish-831K-All (IS2RE, ID) 4.58 IS2RE ID primary score — Imported 2026-05-28
35 DimeNet++-1.8M-All (IS2RE, ID) 4.25 IS2RE ID primary score — Imported 2026-05-28
36 SphereNet (IS2RE training data only without IS2RS or data augmentation. Direct) (IS2RE, ID) 4.47 IS2RE ID primary score — Imported 2026-05-28
37 OrbNet-256N64E-ofm (IS2RE only) (IS2RE, ID) 4.13 IS2RE ID primary score — Imported 2026-05-28
38 GemNet-OC+Electron (IS2RE, ID) 4.37 IS2RE ID primary score — Imported 2026-05-28
39 (IS2RE, ID) 4.32 IS2RE ID primary score — Imported 2026-05-28
40 OrbNet-256N64E-ofm-surface (IS2RE Only) (IS2RE, ID) 3.93 IS2RE ID primary score — Imported 2026-05-28
41 OrbNet-256N64E-period-group (IS2RE data only) (IS2RE, ID) 3.99 IS2RE ID primary score — Imported 2026-05-28
42 OrbNet-256N64E-atomic-number (IS2RE data only) (IS2RE, ID) 3.9 IS2RE ID primary score — Imported 2026-05-28
43 EdgeUpdateNet (IS2RE data only) (IS2RE, ID) 3.48 IS2RE ID primary score — Imported 2026-05-28
44 ALIGNN-10k (IS2RE, ID) 2.83 IS2RE ID primary score — Imported 2026-05-28
45 CGCNN-5M-All (IS2RE, ID) 3.4 IS2RE ID primary score — Imported 2026-05-28
46 EnergyNet (IS2RE, ID) 3.3 IS2RE ID primary score — Imported 2026-05-28
47 SchNet-1.2M-All (IS2RE, ID) 2.96 IS2RE ID primary score — Imported 2026-05-28
48 MEGNet (IS2RE, ID) 3.9 IS2RE ID primary score — Imported 2026-05-28
49 DimeNet++-Relaxations (IS2RE, ID) 4.25 IS2RE ID primary score — Imported 2026-05-28
50 EGNN (IS2RE, ID) 3.19 IS2RE ID primary score — Imported 2026-05-28
51 SchNet-fonly-eonly-relaxation-All (IS2RE, ID) 4.16 IS2RE ID primary score — Imported 2026-05-28
52 (IS2RE, ID) 2.53 IS2RE ID primary score — Imported 2026-05-28
53 DNN++ EXP Mod (IS2RE, ID) 2.3 IS2RE ID primary score — Imported 2026-05-28
54 (IS2RE, ID) 2.29 IS2RE ID primary score — Imported 2026-05-28
55 Regular Dimenet++ 10k (IS2RE, ID) 2.5 IS2RE ID primary score — Imported 2026-05-28
56 (IS2RE, ID) 1.78 IS2RE ID primary score — Imported 2026-05-28
57 (IS2RE, ID) 1.88 IS2RE ID primary score — Imported 2026-05-28
58 (IS2RE, ID) 1.92 IS2RE ID primary score — Imported 2026-05-28
59 (IS2RE, ID) 1.92 IS2RE ID primary score — Imported 2026-05-28
60 (IS2RE, ID) 1.72 IS2RE ID primary score — Imported 2026-05-28
61 (IS2RE, ID) 1.79 IS2RE ID primary score — Imported 2026-05-28
62 (IS2RE, ID) 1.8 IS2RE ID primary score — Imported 2026-05-28
63 (IS2RE, ID) 0.76 IS2RE ID primary score — Imported 2026-05-28
64 (IS2RE, ID) 0.73 IS2RE ID primary score — Imported 2026-05-28
65 (IS2RE, ID) 0.71 IS2RE ID primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, OOD Ads) 16.69 IS2RE OOD Ads primary score — Imported 2026-05-28
2 EquiformerV2 - 31M - LBFGS Fix (IS2RE, OOD Ads) 15.93 IS2RE OOD Ads primary score — Imported 2026-05-28
3 EquiformerV2 (λᴇ=4) -- All+MD (IS2RE, OOD Ads) 13.75 IS2RE OOD Ads primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=2) -- All+MD (IS2RE, OOD Ads) 12.2 IS2RE OOD Ads primary score — Imported 2026-05-28
5 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, OOD Ads) 14.17 IS2RE OOD Ads primary score — Imported 2026-05-28
6 SCN (relaxation) (IS2RE, OOD Ads) 13.93 IS2RE OOD Ads primary score — Imported 2026-05-28
7 eSCN-All-MD (relaxation) (IS2RE, OOD Ads) 14.27 IS2RE OOD Ads primary score — Imported 2026-05-28
8 GemNet-OC-Large-force relaxations + GemNet-OC-Large-energy (IS2RE, OOD Ads) 15.18 IS2RE OOD Ads primary score — Imported 2026-05-28
9 GeoEnsemble (Relax, S2EF-2M data) (IS2RE, OOD Ads) 8.88 IS2RE OOD Ads primary score — Imported 2026-05-28
10 GemNet-XL (IS2RE, OOD Ads) 10 IS2RE OOD Ads primary score — Imported 2026-05-28
11 GemNet-T-EFwT-Relaxation-All (IS2RE, OOD Ads) 9.11 IS2RE OOD Ads primary score — Imported 2026-05-28
12 spinconv-force-centric-relaxation-all (IS2RE, OOD Ads) 7.47 IS2RE OOD Ads primary score — Imported 2026-05-28
13 TGT (Direct, IS2RE Data Only) (IS2RE, OOD Ads) 5.7 IS2RE OOD Ads primary score — Imported 2026-05-28
14 Uni-Mol+ (Direct) (IS2RE, OOD Ads) 6.05 IS2RE OOD Ads primary score — Imported 2026-05-28
15 DRFormer (Direct, IS2RE data only) (IS2RE, OOD Ads) 4.42 IS2RE OOD Ads primary score — Imported 2026-05-28
16 GemNet-XL (Finetuned) (IS2RE, OOD Ads) 3.95 IS2RE OOD Ads primary score — Imported 2026-05-28
17 moleformer (IS2RE, OOD Ads) 4.67 IS2RE OOD Ads primary score — Imported 2026-05-28
18 moleformer (IS2RE, OOD Ads) 4.5 IS2RE OOD Ads primary score — Imported 2026-05-28
19 DimeNet++-Large-Force-only Relaxations + DimeNet++-Energy-only (IS2RE, OOD Ads) 4.34 IS2RE OOD Ads primary score — Imported 2026-05-28
20 Equiformer (IS2RE training data only with IS2RS and Noisy Nodes. Direct.) (IS2RE, OOD Ads) 3.7 IS2RE OOD Ads primary score — Imported 2026-05-28
21 GNS + Noisy Nodes (Direct) (IS2RE, OOD Ads) 3.49 IS2RE OOD Ads primary score — Imported 2026-05-28
22 GNS + Noisy Nodes (IS2RE Only) (IS2RE, OOD Ads) 4.25 IS2RE OOD Ads primary score — Imported 2026-05-28
23 3d-Graphormer (Direct, IS2RE data only) (IS2RE, OOD Ads) 3.45 IS2RE OOD Ads primary score — Imported 2026-05-28
24 DimeNet++-1.8M-fonly-eonly-relaxation-All (IS2RE, OOD Ads) 4.29 IS2RE OOD Ads primary score — Imported 2026-05-28
25 3 term MI (IS2RE, OOD Ads) 3.86 IS2RE OOD Ads primary score — Imported 2026-05-28
26 DimeNet++-fixed-mish-831K-All (IS2RE, OOD Ads) 2.38 IS2RE OOD Ads primary score — Imported 2026-05-28
27 DimeNet++-Relaxations (IS2RE, OOD Ads) 3.36 IS2RE OOD Ads primary score — Imported 2026-05-28
28 OrbNet-256N64E-ofm (IS2RE only) (IS2RE, OOD Ads) 2.42 IS2RE OOD Ads primary score — Imported 2026-05-28
29 Equiformer (IS2RE training data only without IS2RS or data augmentation. Direct.) (IS2RE, OOD Ads) 2.41 IS2RE OOD Ads primary score — Imported 2026-05-28
30 Steerable GNN (IS2RE data only, no relaxations) (IS2RE, OOD Ads) 2.46 IS2RE OOD Ads primary score — Imported 2026-05-28
31 OrbNet-256N64E-ofm-surface (IS2RE Only) (IS2RE, OOD Ads) 2.26 IS2RE OOD Ads primary score — Imported 2026-05-28
32 DimeNet++-fixed-mish-831K-All-surface (IS2RE, OOD Ads) 2.35 IS2RE OOD Ads primary score — Imported 2026-05-28
33 SphereNet (IS2RE training data only without IS2RS or data augmentation. Direct) (IS2RE, OOD Ads) 2.29 IS2RE OOD Ads primary score — Imported 2026-05-28
34 SphereNet+ (IS2RE data only) (IS2RE, OOD Ads) 2.33 IS2RE OOD Ads primary score — Imported 2026-05-28
35 EnergyNet (IS2RE, OOD Ads) 2.2 IS2RE OOD Ads primary score — Imported 2026-05-28
36 GemNet-OC+Electron (IS2RE, OOD Ads) 2.52 IS2RE OOD Ads primary score — Imported 2026-05-28
37 method9 (IS2RE, OOD Ads) 2.51 IS2RE OOD Ads primary score — Imported 2026-05-28
38 spinconv-ewt-all (IS2RE, OOD Ads) 2.26 IS2RE OOD Ads primary score — Imported 2026-05-28
39 DimeNet++-1.8M-All (IS2RE, OOD Ads) 2.07 IS2RE OOD Ads primary score — Imported 2026-05-28
40 (IS2RE, OOD Ads) 1.93 IS2RE OOD Ads primary score — Imported 2026-05-28
41 SchNet-1.2M-All (IS2RE, OOD Ads) 2.33 IS2RE OOD Ads primary score — Imported 2026-05-28
42 EdgeUpdateNet (IS2RE data only) (IS2RE, OOD Ads) 2.35 IS2RE OOD Ads primary score — Imported 2026-05-28
43 SchNet-fonly-eonly-relaxation-All (IS2RE, OOD Ads) 2.98 IS2RE OOD Ads primary score — Imported 2026-05-28
44 OrbNet-256N64E-atomic-number (IS2RE data only) (IS2RE, OOD Ads) 2.37 IS2RE OOD Ads primary score — Imported 2026-05-28
45 DimeNet++-atomlayer-All (IS2RE, OOD Ads) 2.59 IS2RE OOD Ads primary score — Imported 2026-05-28
46 ComENet (IS2RE data only, energy loss only, 1 GPU, 10h training) (IS2RE, OOD Ads) 2.14 IS2RE OOD Ads primary score — Imported 2026-05-28
47 OrbNet-256N64E-period-group (IS2RE data only) (IS2RE, OOD Ads) 2.15 IS2RE OOD Ads primary score — Imported 2026-05-28
48 (IS2RE, OOD Ads) 2.07 IS2RE OOD Ads primary score — Imported 2026-05-28
49 EGNN (IS2RE, OOD Ads) 1.94 IS2RE OOD Ads primary score — Imported 2026-05-28
50 ALIGNN-10k (IS2RE, OOD Ads) 2.05 IS2RE OOD Ads primary score — Imported 2026-05-28
51 Regular Dimenet++ 10k (IS2RE, OOD Ads) 1.97 IS2RE OOD Ads primary score — Imported 2026-05-28
52 DNN++ EXP Mod (IS2RE, OOD Ads) 1.66 IS2RE OOD Ads primary score — Imported 2026-05-28
53 CGCNN-5M-All (IS2RE, OOD Ads) 1.93 IS2RE OOD Ads primary score — Imported 2026-05-28
54 (IS2RE, OOD Ads) 1.77 IS2RE OOD Ads primary score — Imported 2026-05-28
55 MEGNet (IS2RE, OOD Ads) 1.74 IS2RE OOD Ads primary score — Imported 2026-05-28
56 (IS2RE, OOD Ads) 1.07 IS2RE OOD Ads primary score — Imported 2026-05-28
57 (IS2RE, OOD Ads) 1.12 IS2RE OOD Ads primary score — Imported 2026-05-28
58 (IS2RE, OOD Ads) 1.12 IS2RE OOD Ads primary score — Imported 2026-05-28
59 (IS2RE, OOD Ads) 1.08 IS2RE OOD Ads primary score — Imported 2026-05-28
60 (IS2RE, OOD Ads) 1.16 IS2RE OOD Ads primary score — Imported 2026-05-28
61 (IS2RE, OOD Ads) 0.93 IS2RE OOD Ads primary score — Imported 2026-05-28
62 (IS2RE, OOD Ads) 0.89 IS2RE OOD Ads primary score — Imported 2026-05-28
63 (IS2RE, OOD Ads) 0.87 IS2RE OOD Ads primary score — Imported 2026-05-28
64 (IS2RE, OOD Ads) 0.85 IS2RE OOD Ads primary score — Imported 2026-05-28
65 (IS2RE, OOD Ads) 0.84 IS2RE OOD Ads primary score — Imported 2026-05-28
1 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, OOD Cat) 19.35 IS2RE OOD Cat primary score — Imported 2026-05-28
2 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, OOD Cat) 18.6 IS2RE OOD Cat primary score — Imported 2026-05-28
3 EquiformerV2 - 31M - LBFGS Fix (IS2RE, OOD Cat) 16.15 IS2RE OOD Cat primary score — Imported 2026-05-28
4 EquiformerV2 (λᴇ=4) -- All+MD (IS2RE, OOD Cat) 17.67 IS2RE OOD Cat primary score — Imported 2026-05-28
5 EquiformerV2 (λᴇ=2) -- All+MD (IS2RE, OOD Cat) 16.92 IS2RE OOD Cat primary score — Imported 2026-05-28
6 eSCN-All-MD (relaxation) (IS2RE, OOD Cat) 16.1 IS2RE OOD Cat primary score — Imported 2026-05-28
7 SCN (relaxation) (IS2RE, OOD Cat) 13.7 IS2RE OOD Cat primary score — Imported 2026-05-28
8 GeoEnsemble (Relax, S2EF-2M data) (IS2RE, OOD Cat) 10.45 IS2RE OOD Cat primary score — Imported 2026-05-28
9 GemNet-OC-Large-force relaxations + GemNet-OC-Large-energy (IS2RE, OOD Cat) 14.18 IS2RE OOD Cat primary score — Imported 2026-05-28
10 DRFormer (Direct, IS2RE data only) (IS2RE, OOD Cat) 8.48 IS2RE OOD Cat primary score — Imported 2026-05-28
11 Uni-Mol+ (Direct) (IS2RE, OOD Cat) 9.53 IS2RE OOD Cat primary score — Imported 2026-05-28
12 TGT (Direct, IS2RE Data Only) (IS2RE, OOD Cat) 9.84 IS2RE OOD Cat primary score — Imported 2026-05-28
13 GemNet-XL (IS2RE, OOD Cat) 11.61 IS2RE OOD Cat primary score — Imported 2026-05-28
14 3d-Graphormer (Direct, IS2RE data only) (IS2RE, OOD Cat) 8.18 IS2RE OOD Cat primary score — Imported 2026-05-28
15 Equiformer (IS2RE training data only with IS2RS and Noisy Nodes. Direct.) (IS2RE, OOD Cat) 7.15 IS2RE OOD Cat primary score — Imported 2026-05-28
16 moleformer (IS2RE, OOD Cat) 7.58 IS2RE OOD Cat primary score — Imported 2026-05-28
17 moleformer (IS2RE, OOD Cat) 7.62 IS2RE OOD Cat primary score — Imported 2026-05-28
18 GemNet-T-EFwT-Relaxation-All (IS2RE, OOD Cat) 10.09 IS2RE OOD Cat primary score — Imported 2026-05-28
19 GNS + Noisy Nodes (IS2RE Only) (IS2RE, OOD Cat) 8.01 IS2RE OOD Cat primary score — Imported 2026-05-28
20 GemNet-XL (Finetuned) (IS2RE, OOD Cat) 6.76 IS2RE OOD Cat primary score — Imported 2026-05-28
21 3 term MI (IS2RE, OOD Cat) 6.97 IS2RE OOD Cat primary score — Imported 2026-05-28
22 spinconv-force-centric-relaxation-all (IS2RE, OOD Cat) 8.16 IS2RE OOD Cat primary score — Imported 2026-05-28
23 GNS + Noisy Nodes (Direct) (IS2RE, OOD Cat) 5.02 IS2RE OOD Cat primary score — Imported 2026-05-28
24 Equiformer (IS2RE training data only without IS2RS or data augmentation. Direct.) (IS2RE, OOD Cat) 4.67 IS2RE OOD Cat primary score — Imported 2026-05-28
25 Steerable GNN (IS2RE data only, no relaxations) (IS2RE, OOD Cat) 4.92 IS2RE OOD Cat primary score — Imported 2026-05-28
26 method9 (IS2RE, OOD Cat) 4.15 IS2RE OOD Cat primary score — Imported 2026-05-28
27 SphereNet+ (IS2RE data only) (IS2RE, OOD Cat) 4.45 IS2RE OOD Cat primary score — Imported 2026-05-28
28 ComENet (IS2RE data only, energy loss only, 1 GPU, 10h training) (IS2RE, OOD Cat) 4.35 IS2RE OOD Cat primary score — Imported 2026-05-28
29 DimeNet++-atomlayer-All (IS2RE, OOD Cat) 4.59 IS2RE OOD Cat primary score — Imported 2026-05-28
30 DimeNet++-fixed-mish-831K-All-surface (IS2RE, OOD Cat) 4.46 IS2RE OOD Cat primary score — Imported 2026-05-28
31 spinconv-ewt-all (IS2RE, OOD Cat) 3.82 IS2RE OOD Cat primary score — Imported 2026-05-28
32 DimeNet++-fixed-mish-831K-All (IS2RE, OOD Cat) 4.53 IS2RE OOD Cat primary score — Imported 2026-05-28
33 SphereNet (IS2RE training data only without IS2RS or data augmentation. Direct) (IS2RE, OOD Cat) 4.09 IS2RE OOD Cat primary score — Imported 2026-05-28
34 DimeNet++-1.8M-All (IS2RE, OOD Cat) 4.1 IS2RE OOD Cat primary score — Imported 2026-05-28
35 DimeNet++-Large-Force-only Relaxations + DimeNet++-Energy-only (IS2RE, OOD Cat) 5.09 IS2RE OOD Cat primary score — Imported 2026-05-28
36 (IS2RE, OOD Cat) 3.93 IS2RE OOD Cat primary score — Imported 2026-05-28
37 GemNet-OC+Electron (IS2RE, OOD Cat) 4.03 IS2RE OOD Cat primary score — Imported 2026-05-28
38 OrbNet-256N64E-ofm (IS2RE only) (IS2RE, OOD Cat) 3.72 IS2RE OOD Cat primary score — Imported 2026-05-28
39 DimeNet++-1.8M-fonly-eonly-relaxation-All (IS2RE, OOD Cat) 5.07 IS2RE OOD Cat primary score — Imported 2026-05-28
40 OrbNet-256N64E-period-group (IS2RE data only) (IS2RE, OOD Cat) 3.46 IS2RE OOD Cat primary score — Imported 2026-05-28
41 OrbNet-256N64E-atomic-number (IS2RE data only) (IS2RE, OOD Cat) 3.58 IS2RE OOD Cat primary score — Imported 2026-05-28
42 OrbNet-256N64E-ofm-surface (IS2RE Only) (IS2RE, OOD Cat) 3.5 IS2RE OOD Cat primary score — Imported 2026-05-28
43 EdgeUpdateNet (IS2RE data only) (IS2RE, OOD Cat) 3.3 IS2RE OOD Cat primary score — Imported 2026-05-28
44 CGCNN-5M-All (IS2RE, OOD Cat) 3.1 IS2RE OOD Cat primary score — Imported 2026-05-28
45 ALIGNN-10k (IS2RE, OOD Cat) 2.83 IS2RE OOD Cat primary score — Imported 2026-05-28
46 EnergyNet (IS2RE, OOD Cat) 3.07 IS2RE OOD Cat primary score — Imported 2026-05-28
47 SchNet-1.2M-All (IS2RE, OOD Cat) 2.94 IS2RE OOD Cat primary score — Imported 2026-05-28
48 MEGNet (IS2RE, OOD Cat) 3.55 IS2RE OOD Cat primary score — Imported 2026-05-28
49 DimeNet++-Relaxations (IS2RE, OOD Cat) 3.76 IS2RE OOD Cat primary score — Imported 2026-05-28
50 EGNN (IS2RE, OOD Cat) 3.06 IS2RE OOD Cat primary score — Imported 2026-05-28
51 (IS2RE, OOD Cat) 2.38 IS2RE OOD Cat primary score — Imported 2026-05-28
52 DNN++ EXP Mod (IS2RE, OOD Cat) 2.26 IS2RE OOD Cat primary score — Imported 2026-05-28
53 (IS2RE, OOD Cat) 2.11 IS2RE OOD Cat primary score — Imported 2026-05-28
54 Regular Dimenet++ 10k (IS2RE, OOD Cat) 2.4 IS2RE OOD Cat primary score — Imported 2026-05-28
55 SchNet-fonly-eonly-relaxation-All (IS2RE, OOD Cat) 3.38 IS2RE OOD Cat primary score — Imported 2026-05-28
56 (IS2RE, OOD Cat) 1.88 IS2RE OOD Cat primary score — Imported 2026-05-28
57 (IS2RE, OOD Cat) 1.89 IS2RE OOD Cat primary score — Imported 2026-05-28
58 (IS2RE, OOD Cat) 1.92 IS2RE OOD Cat primary score — Imported 2026-05-28
59 (IS2RE, OOD Cat) 1.97 IS2RE OOD Cat primary score — Imported 2026-05-28
60 (IS2RE, OOD Cat) 1.65 IS2RE OOD Cat primary score — Imported 2026-05-28
61 (IS2RE, OOD Cat) 1.75 IS2RE OOD Cat primary score — Imported 2026-05-28
62 (IS2RE, OOD Cat) 1.7 IS2RE OOD Cat primary score — Imported 2026-05-28
63 (IS2RE, OOD Cat) 0.85 IS2RE OOD Cat primary score — Imported 2026-05-28
64 (IS2RE, OOD Cat) 0.81 IS2RE OOD Cat primary score — Imported 2026-05-28
65 (IS2RE, OOD Cat) 0.78 IS2RE OOD Cat primary score — Imported 2026-05-28
1 EquiformerV2 - 31M - LBFGS Fix (IS2RE, OOD Both) 14.59 IS2RE OOD Both primary score — Imported 2026-05-28
2 EquiformerV2 (λᴇ=4) -- All+MD (IS2RE, OOD Both) 12.75 IS2RE OOD Both primary score — Imported 2026-05-28
3 SCN (relaxation) (IS2RE, OOD Both) 13.47 IS2RE OOD Both primary score — Imported 2026-05-28
4 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, OOD Both) 13.14 IS2RE OOD Both primary score — Imported 2026-05-28
5 EquiformerV2 (λᴇ=2) -- All+MD (IS2RE, OOD Both) 12.08 IS2RE OOD Both primary score — Imported 2026-05-28
6 EquiformerV2 + DeNS (160M, λᴇ=4) -- All+MD (IS2RE, OOD Both) 14.26 IS2RE OOD Both primary score — Imported 2026-05-28
7 eSCN-All-MD (relaxation) (IS2RE, OOD Both) 12.98 IS2RE OOD Both primary score — Imported 2026-05-28
8 GeoEnsemble (Relax, S2EF-2M data) (IS2RE, OOD Both) 9.23 IS2RE OOD Both primary score — Imported 2026-05-28
9 GemNet-XL (IS2RE, OOD Both) 9.65 IS2RE OOD Both primary score — Imported 2026-05-28
10 GemNet-OC-Large-force relaxations + GemNet-OC-Large-energy (IS2RE, OOD Both) 12.12 IS2RE OOD Both primary score — Imported 2026-05-28
11 GemNet-T-EFwT-Relaxation-All (IS2RE, OOD Both) 7.87 IS2RE OOD Both primary score — Imported 2026-05-28
12 TGT (Direct, IS2RE Data Only) (IS2RE, OOD Both) 6.17 IS2RE OOD Both primary score — Imported 2026-05-28
13 Uni-Mol+ (Direct) (IS2RE, OOD Both) 6.06 IS2RE OOD Both primary score — Imported 2026-05-28
14 spinconv-force-centric-relaxation-all (IS2RE, OOD Both) 6.56 IS2RE OOD Both primary score — Imported 2026-05-28
15 DRFormer (Direct, IS2RE data only) (IS2RE, OOD Both) 4.59 IS2RE OOD Both primary score — Imported 2026-05-28
16 moleformer (IS2RE, OOD Both) 4.87 IS2RE OOD Both primary score — Imported 2026-05-28
17 moleformer (IS2RE, OOD Both) 4.65 IS2RE OOD Both primary score — Imported 2026-05-28
18 GNS + Noisy Nodes (IS2RE Only) (IS2RE, OOD Both) 4.64 IS2RE OOD Both primary score — Imported 2026-05-28
19 GemNet-XL (Finetuned) (IS2RE, OOD Both) 4.19 IS2RE OOD Both primary score — Imported 2026-05-28
20 Equiformer (IS2RE training data only with IS2RS and Noisy Nodes. Direct.) (IS2RE, OOD Both) 4.07 IS2RE OOD Both primary score — Imported 2026-05-28
21 3d-Graphormer (Direct, IS2RE data only) (IS2RE, OOD Both) 3.79 IS2RE OOD Both primary score — Imported 2026-05-28
22 GNS + Noisy Nodes (Direct) (IS2RE, OOD Both) 3.82 IS2RE OOD Both primary score — Imported 2026-05-28
23 3 term MI (IS2RE, OOD Both) 4.03 IS2RE OOD Both primary score — Imported 2026-05-28
24 DimeNet++-fixed-mish-831K-All (IS2RE, OOD Both) 2.7 IS2RE OOD Both primary score — Imported 2026-05-28
25 DimeNet++-Large-Force-only Relaxations + DimeNet++-Energy-only (IS2RE, OOD Both) 3.93 IS2RE OOD Both primary score — Imported 2026-05-28
26 DimeNet++-1.8M-fonly-eonly-relaxation-All (IS2RE, OOD Both) 3.85 IS2RE OOD Both primary score — Imported 2026-05-28
27 Equiformer (IS2RE training data only without IS2RS or data augmentation. Direct.) (IS2RE, OOD Both) 2.69 IS2RE OOD Both primary score — Imported 2026-05-28
28 DimeNet++-fixed-mish-831K-All-surface (IS2RE, OOD Both) 2.41 IS2RE OOD Both primary score — Imported 2026-05-28
29 SphereNet (IS2RE training data only without IS2RS or data augmentation. Direct) (IS2RE, OOD Both) 2.41 IS2RE OOD Both primary score — Imported 2026-05-28
30 SphereNet+ (IS2RE data only) (IS2RE, OOD Both) 2.47 IS2RE OOD Both primary score — Imported 2026-05-28
31 OrbNet-256N64E-ofm (IS2RE only) (IS2RE, OOD Both) 2.5 IS2RE OOD Both primary score — Imported 2026-05-28
32 method9 (IS2RE, OOD Both) 2.59 IS2RE OOD Both primary score — Imported 2026-05-28
33 DimeNet++-1.8M-All (IS2RE, OOD Both) 2.41 IS2RE OOD Both primary score — Imported 2026-05-28
34 EnergyNet (IS2RE, OOD Both) 2.34 IS2RE OOD Both primary score — Imported 2026-05-28
35 OrbNet-256N64E-ofm-surface (IS2RE Only) (IS2RE, OOD Both) 2.31 IS2RE OOD Both primary score — Imported 2026-05-28
36 GemNet-OC+Electron (IS2RE, OOD Both) 2.45 IS2RE OOD Both primary score — Imported 2026-05-28
37 spinconv-ewt-all (IS2RE, OOD Both) 2.33 IS2RE OOD Both primary score — Imported 2026-05-28
38 Steerable GNN (IS2RE data only, no relaxations) (IS2RE, OOD Both) 2.63 IS2RE OOD Both primary score — Imported 2026-05-28
39 (IS2RE, OOD Both) 2.18 IS2RE OOD Both primary score — Imported 2026-05-28
40 DimeNet++-Relaxations (IS2RE, OOD Both) 3.52 IS2RE OOD Both primary score — Imported 2026-05-28
41 ComENet (IS2RE data only, energy loss only, 1 GPU, 10h training) (IS2RE, OOD Both) 2.25 IS2RE OOD Both primary score — Imported 2026-05-28
42 EdgeUpdateNet (IS2RE data only) (IS2RE, OOD Both) 2.57 IS2RE OOD Both primary score — Imported 2026-05-28
43 DimeNet++-atomlayer-All (IS2RE, OOD Both) 2.33 IS2RE OOD Both primary score — Imported 2026-05-28
44 OrbNet-256N64E-atomic-number (IS2RE data only) (IS2RE, OOD Both) 2.44 IS2RE OOD Both primary score — Imported 2026-05-28
45 SchNet-1.2M-All (IS2RE, OOD Both) 2.21 IS2RE OOD Both primary score — Imported 2026-05-28
46 OrbNet-256N64E-period-group (IS2RE data only) (IS2RE, OOD Both) 2.32 IS2RE OOD Both primary score — Imported 2026-05-28
47 (IS2RE, OOD Both) 2.33 IS2RE OOD Both primary score — Imported 2026-05-28
48 SchNet-fonly-eonly-relaxation-All (IS2RE, OOD Both) 2.71 IS2RE OOD Both primary score — Imported 2026-05-28
49 EGNN (IS2RE, OOD Both) 1.99 IS2RE OOD Both primary score — Imported 2026-05-28
50 ALIGNN-10k (IS2RE, OOD Both) 2.14 IS2RE OOD Both primary score — Imported 2026-05-28
51 Regular Dimenet++ 10k (IS2RE, OOD Both) 1.87 IS2RE OOD Both primary score — Imported 2026-05-28
52 (IS2RE, OOD Both) 1.69 IS2RE OOD Both primary score — Imported 2026-05-28
53 CGCNN-5M-All (IS2RE, OOD Both) 2 IS2RE OOD Both primary score — Imported 2026-05-28
54 DNN++ EXP Mod (IS2RE, OOD Both) 1.64 IS2RE OOD Both primary score — Imported 2026-05-28
55 MEGNet (IS2RE, OOD Both) 1.6 IS2RE OOD Both primary score — Imported 2026-05-28
56 (IS2RE, OOD Both) 0.99 IS2RE OOD Both primary score — Imported 2026-05-28
57 (IS2RE, OOD Both) 1.2 IS2RE OOD Both primary score — Imported 2026-05-28
58 (IS2RE, OOD Both) 1.08 IS2RE OOD Both primary score — Imported 2026-05-28
59 (IS2RE, OOD Both) 1.09 IS2RE OOD Both primary score — Imported 2026-05-28
60 (IS2RE, OOD Both) 1 IS2RE OOD Both primary score — Imported 2026-05-28
61 (IS2RE, OOD Both) 0.92 IS2RE OOD Both primary score — Imported 2026-05-28
62 (IS2RE, OOD Both) 0.87 IS2RE OOD Both primary score — Imported 2026-05-28
63 (IS2RE, OOD Both) 0.87 IS2RE OOD Both primary score — Imported 2026-05-28
64 (IS2RE, OOD Both) 0.79 IS2RE OOD Both primary score — Imported 2026-05-28
65 (IS2RE, OOD Both) 0.82 IS2RE OOD Both primary score — Imported 2026-05-28