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Ligand discovery on 100 Proteins Average Top-10 endpoint

21MLT Score (PIC 7.0)Random
16.8417.921920.08May 6, 2026

Evaluation results

MethodLinks
Random2026.05213576215397
XGBoost2026.05213355104249
XGBRegressor2026.05182746103265
TabPFN2026.05182648122276
GP-EI2026.0518274492228
MLP2026.05172545108288
TabM2026.05172759141294
GP-M2026.05172753136290
GP-UCB2026.05172851126277
GP-PI2026.0517254199251
SPADE2026.0517244092257