TDC DRD3 Docking

Therapeutics Data Commons docking benchmark for DRD3 molecule generation with oracle-call-budget leaderboard tables.

20rows
top100primary metric
2026-05-28sampled

Metadata

ID
tdc_drd3_docking
Category
Biology
Release
Unknown

Metrics

Top100 (lower is better), Top100 Std (lower is better), Top10 (lower is better), Top10 Std (lower is better), Top1 (lower is better), Top1 Std (lower is better), Diver., Diver. Std (lower is better), Novel., Novel. Std (lower is better), %Pass, %Pass Std (lower is better), Top 1-P (lower is better), Top 1-P Std (lower is better), M1 (lower is better), M1 Std (lower is better)

Latest Results

Rows are imported from the official TDC DRD3 Docking TDC leaderboard table(s); table context is preserved in metadata.

Rank Subject Top100 Model Match Provenance Sampled
1 Graph-GA (Leaderboard: Models Make at Most 5000 Oracle Calls) -14.811 top100 — Imported 2026-05-28
2 SMILES-LSTM (Leaderboard: Models Make at Most 5000 Oracle Calls) -13.017 top100 — Imported 2026-05-28
3 GCPN (Leaderboard: Models Make at Most 5000 Oracle Calls) -10.045 top100 — Imported 2026-05-28
4 MARS (Leaderboard: Models Make at Most 5000 Oracle Calls) -9.509 top100 — Imported 2026-05-28
5 MolDQN (Leaderboard: Models Make at Most 5000 Oracle Calls) -8.236 top100 — Imported 2026-05-28
6 Graph-GA (Leaderboard: Models Make at Most 1000 Oracle Calls) -11.224 top100 — Imported 2026-05-28
7 SMILES-LSTM (Leaderboard: Models Make at Most 1000 Oracle Calls) -9.971 top100 — Imported 2026-05-28
8 GCPN (Leaderboard: Models Make at Most 1000 Oracle Calls) -9.053 top100 — Imported 2026-05-28
9 MARS (Leaderboard: Models Make at Most 1000 Oracle Calls) -8.224 top100 — Imported 2026-05-28
10 MolDQN (Leaderboard: Models Make at Most 1000 Oracle Calls) -6.738 top100 — Imported 2026-05-28
11 Graph-GA (Leaderboard: Models Make at Most 500 Oracle Calls) -10.036 top100 — Imported 2026-05-28
12 SMILES-LSTM (Leaderboard: Models Make at Most 500 Oracle Calls) -9.419 top100 — Imported 2026-05-28
13 GCPN (Leaderboard: Models Make at Most 500 Oracle Calls) -8.119 top100 — Imported 2026-05-28
14 MARS (Leaderboard: Models Make at Most 500 Oracle Calls) -7.278 top100 — Imported 2026-05-28
15 MolDQN (Leaderboard: Models Make at Most 500 Oracle Calls) -6.357 top100 — Imported 2026-05-28
16 SMILES-LSTM (Leaderboard: Models Make at Most 100 Oracle Calls) -7.594 top100 — Imported 2026-05-28
17 Graph-GA (Leaderboard: Models Make at Most 100 Oracle Calls) -7.222 top100 — Imported 2026-05-28
18 MARS (Leaderboard: Models Make at Most 100 Oracle Calls) -5.928 top100 — Imported 2026-05-28
19 MolDQN (Leaderboard: Models Make at Most 100 Oracle Calls) -5.178 top100 — Imported 2026-05-28
20 GCPN (Leaderboard: Models Make at Most 100 Oracle Calls) 3.86 top100 — Imported 2026-05-28