MS-to-SMILES prediction on MassSpecGym (test) benchmark leaderboard · SOTA2 Research

MS-to-SMILES prediction on MassSpecGym (test)

1Think RateClaude-3.5-Sonnet

Evaluation Results

Method	Links
Claude-3.5-Sonnet2026.01		1	0.9996	0.937	0.0394	0	0	0	0.09	0.1	0.15	0.14
Llama-3-70B2026.01		0.9783	0.5114	0.3812	0.041	0.0002	0	0	0.1	0.12	0.17	0.14
GPT-4o-mini2026.01		0.9707	0.8117	0.7541	0.0391	0.0002	0	0	0.09	0.12	0.15	0.07
Llama-3-8B2026.01		0.6834	0.0221	0.0144	0.0422	0	0	0	0.09	0.1	0.17	0.16