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OpenClaw-Medical-Skills chematagent-drug-discovery

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install
source · Clone the upstream repo
git clone https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills
Claude Code · Install into ~/.claude/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills "$T" && mkdir -p ~/.claude/skills && cp -r "$T/skills/chematagent-drug-discovery" ~/.claude/skills/freedomintelligence-openclaw-medical-skills-chematagent-drug-discovery && rm -rf "$T"
OpenClaw · Install into ~/.openclaw/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills "$T" && mkdir -p ~/.openclaw/skills && cp -r "$T/skills/chematagent-drug-discovery" ~/.openclaw/skills/freedomintelligence-openclaw-medical-skills-chematagent-drug-discovery && rm -rf "$T"
manifest: skills/chematagent-drug-discovery/SKILL.md
tags
#drug-discovery#property-prediction#synthesis-planning#chemistry-tools#molecule-design
source content
<!-- # COPYRIGHT NOTICE # This file is part of the "Universal Biomedical Skills" project. # Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu> # All Rights Reserved. # # This code is proprietary and confidential. # Unauthorized copying of this file, via any medium is strictly prohibited. # # Provenance: Authenticated by MD BABU MIA -->

name: chematagent-drug-discovery description: Chemical Lab Agent keywords:

  • chemistry
  • drug-discovery
  • tools
  • synthesis
  • property-prediction measurable_outcome: Plan a synthesis route and predict ADMET properties for a candidate molecule with >80% validity. license: MIT metadata: author: CheMatAgent Team version: "1.0.0" compatibility:
  • system: Python 3.9+ allowed-tools:
  • run_shell_command
  • read_file

CheMatAgent

A two-tiered agent system with access to 137 Python-wrapped chemical tools for drug discovery and materials science.

When to Use

  • Molecule Design: Generating novel structures with specific properties.
  • Property Prediction: Estimating solubility, toxicity, and bioactivity.
  • Synthesis Planning: Designing retro-synthetic routes.

Core Capabilities

  1. Tool Orchestration: Manages a library of 137 chemical tools.
  2. Multi-Scale Modeling: Bridges quantum mechanics and molecular dynamics.
  3. Lab Automation: Generates instructions for robotic synthesis platforms.

Workflow

  1. Goal: Define target property (e.g., "LogP < 5").
  2. Design: Generate candidates.
  3. Filter: Use property prediction tools.
  4. Plan: Output synthesis recipe.

Example Usage

User: "Design a molecule similar to Aspirin but with higher solubility."

Agent Action:

python -m chematagent.design --scaffold "Aspirin" --objective "maximize solubility"
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