Ligand discovery on 100 Proteins Average Top-10 endpoint benchmark leaderboard · SOTA2 Research

Ligand discovery on 100 Proteins Average Top-10 endpoint

21MLT Score (PIC 7.0)Random

Evaluation Results

Method	Links
Random2026.05		21	35	76	215	397
XGBoost2026.05		21	33	55	104	249
XGBRegressor2026.05		18	27	46	103	265
TabPFN2026.05		18	26	48	122	276
GP-EI2026.05		18	27	44	92	228
MLP2026.05		17	25	45	108	288
TabM2026.05		17	27	59	141	294
GP-M2026.05		17	27	53	136	290
GP-UCB2026.05		17	28	51	126	277
GP-PI2026.05		17	25	41	99	251
SPADE2026.05		17	24	40	92	257