Agens datamol

skill_id: datamol name: datamol description: Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly. version: 1.0.0 author: K-Dense Inc. license: Apache-2.0 license tags:

• scientific-agent-skills
• datamol tools: [] permissions: network: false filesystem: false shell: false agents:
• bio_code_agent enabled: true source: scientific-agent-skills entrypoint: entry.py readme: README.md input_schema: {} output_schema: type: object metadata: upstream_repo: K-Dense-AI/scientific-agent-skills upstream_skill: datamol upstream_path: scientific-skills/datamol/SKILL.md upstream_frontmatter: name: datamol description: Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly. license: Apache-2.0 license metadata: skill-author: K-Dense Inc.