Ligand Discovery on 100 Proteins Min Top-3 endpoint benchmark leaderboard · SOTA2 Research

Ligand Discovery on 100 Proteins Min Top-3 endpoint

13MLT (Target PIC 7.0)Random

Evaluation Results

Method	Links
Random2026.05		13	21	46	140	348
XGBoost2026.05		13	22	39	82	186
GP-EI2026.05		13	20	33	70	176
MLP2026.05		12	18	31	78	199
XGBRegressor2026.05		12	20	34	78	201
TabPFN2026.05		12	19	35	94	217
TabM2026.05		12	20	41	115	249
GP-M2026.05		12	21	41	112	235
GP-UCB2026.05		12	22	38	99	217
GP-PI2026.05		12	19	33	80	184
SPADE2026.05		12	18	29	71	168