{"skill":{"slug":"pharmaclaw-cheminformatics","displayName":"Pharmaclaw Cheminformatics","summary":"Advanced cheminformatics agent for 3D molecular analysis, pharmacophore mapping, format conversion, RECAP fragmentation, and stereoisomer enumeration. The \"s...","tags":{"latest":"1.0.0"},"stats":{"comments":0,"downloads":298,"installsAllTime":2,"installsCurrent":2,"stars":0,"versions":1},"createdAt":1773252927269,"updatedAt":1777525870227},"latestVersion":{"version":"1.0.0","createdAt":1773252927269,"changelog":"pharmaclaw-cheminformatics v1.0.0\n\n- Initial release of an advanced cheminformatics agent for 3D molecular analysis and drug development workflows.\n- Adds 3D conformer generation, pharmacophore feature mapping, molecular format conversion (SMILES/SDF/MOL/InChI/PDB/XYZ), RECAP retrosynthetic fragmentation, and stereoisomer enumeration (R/S, E/Z).\n- Includes modules for ensemble conformer generation, pharmacophore extraction/fingerprints/comparison, retrosynthetic fragmentation, and stereochemistry analysis.\n- Provides a unified chain interface for integration with pharmacology, catalyst design, and IP expansion workflows.\n- Supports batch and single-molecule analysis; outputs 3D coordinates, SDF/PNG visualizations, and structured reports.","license":"MIT-0"},"metadata":null,"owner":{"handle":"cheminem","userId":"publishers:cheminem","displayName":"Cheminem","image":"https://avatars.githubusercontent.com/u/260304734?v=4"},"moderation":null}