Pyrite benchmarks LLM agents on protein-ligand pose ranking
On 1,500 pose pairs, PyriteFeaturizer reaches 74% accuracy and PyriteReasoner 67%, while expert chemists perform near chance.
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Stories tagged #protein-ligand
Bonbon shows zero-shot molecular skills without structural training
A 1.6B model trained only on protein-ligand sequences reports binding-site, mechanism, and bond predictions plus a 61.5% wet-lab hit rate.