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Lead Optimization in Protein Folding on PDB date-split (449 targets)

8.45RMSD (Base)

Baseline One-shot (150M)

Updated 4d ago

Evaluation Results

Method	Links
Baseline One-shot (150M) 2025.09		8.45	-	-	0.591	-	-	0.384	-	-
Random (MCTS-0) 2025.09		8.45	8.07	0.37	0.591	0.705	0.114	0.384	0.419	0.035
Single-Expert (150M) 2025.09		8.45	7.55	0.9	0.591	0.705	0.114	0.384	0.439	0.055
Single-Expert (650M) 2025.09		8.45	6.84	1.66	0.591	0.705	0.114	0.384	0.464	0.081
Single-Expert (3B) 2025.09		8.45	7.27	1.24	0.591	0.706	0.114	0.384	0.45	0.067
Sampling 2025.09		8.45	7.63	0.82	0.591	0.703	0.11	0.384	0.435	0.05
MCTD-UCT 2025.09		8.45	6.73	1.68	0.591	0.711	0.117	0.384	0.471	0.085
MCTD-ME 2025.09		8.45	6.47	1.97	0.591	0.72	0.129	0.384	0.471	0.084