chematagent-drug-discovery
CheMatAgent: chemistry-aware drug design with retrosynthesis and property optimization.
Maintainer K-Dense Inc. · Last updated April 1, 2026
ZINC is a freely accessible repository of 230M+ purchasable compounds maintained by UCSF. Search by ZINC ID or SMILES, perform similarity searches, download 3D-ready structures for docking, discover analogs for virtual screening and drug discovery.
Original source
https://github.com/K-Dense-AI/claude-scientific-skills/tree/main/scientific-skills/zinc-database
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CheMatAgent: chemistry-aware drug design with retrosynthesis and property optimization.
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