7 tagged generative-chemistry, measured the same way as everything else here.
Browse within: de-novo-design 7docker 7drug-discovery 7drug-discovery-ai 7
Skill Claude CodeCodex
Evaluate and characterize a set of generated SMILES across multiple quality dimensions (physicochemical, druglikeness, scaffold diversity, structural alerts, similarity to reference). Use after sampling or RL to assess molecule quality.
Skill Claude CodeCodex
Generate a custom scoring component plugin (comp.py) for REINVENT4 RL. Use when the user needs a scoring function not available as a built-in component.
Skill Claude CodeCodex
Run reinforcement learning with REINVENT4 to optimize molecular properties via a scoring function. Use when the user wants to optimize, score, or run RL/staged learning for molecule design.