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chematagent-drug-discovery
Maintainer FreedomIntelligence · Last updated April 1, 2026
CheMatAgent: chemistry-aware drug design with retrosynthesis and property optimization.
Original source
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/chematagent-drug-discovery
- Maintainer
- FreedomIntelligence
- License
- MIT
- Last updated
- April 1, 2026
Skill Snapshot
Key Details From SKILL.md
Key Notes
- A two-tiered agent system with access to 137 Python-wrapped chemical tools for drug discovery and materials science.
- Molecule Design: Generating novel structures with specific properties.
- Property Prediction: Estimating solubility, toxicity, and bioactivity.
- Synthesis Planning: Designing retro-synthetic routes.
- Molecule Design: Generating novel structures with specific properties. Property Prediction: Estimating solubility, toxicity, and bioactivity. * Synthesis Planning: Designing retro-synthetic routes.
Source Doc
Excerpt From SKILL.md
Core Capabilities
- Tool Orchestration: Manages a library of 137 chemical tools.
- Multi-Scale Modeling: Bridges quantum mechanics and molecular dynamics.
- Lab Automation: Generates instructions for robotic synthesis platforms.
Workflow
- Goal: Define target property (e.g., "LogP < 5").
- Design: Generate candidates.
- Filter: Use property prediction tools.
- Plan: Output synthesis recipe.
Example Usage
User: "Design a molecule similar to Aspirin but with higher solubility."
Agent Action:
Use cases
- Use chematagent-drug-discovery for medicinal chemistry and drug-discovery work.
- Apply chematagent-drug-discovery to compound, target, or screening workflows.
Not for
- Do not rely on this catalog entry alone for installation or maintenance details.
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