Agens rdkit

skill_id: rdkit name: rdkit description: Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms. version: 1.0.0 author: K-Dense Inc. license: BSD-3-Clause license tags:

• scientific-agent-skills
• rdkit tools: [] permissions: network: true 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: rdkit upstream_path: scientific-skills/rdkit/SKILL.md upstream_frontmatter: name: rdkit description: Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms. license: BSD-3-Clause license metadata: skill-author: K-Dense Inc.