# Chematagent Drug Discovery

> Chemical Lab Agent

- Skill: `fridrichmethod/chematagent-drug-discovery` (Agent Skill)
- Install (CLI): `npx skillmds@latest add fridrichmethod/chematagent-drug-discovery`
- Raw SKILL.md: https://api.skillmd.com/api/skills/fridrichmethod/chematagent-drug-discovery/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Product & Planning
- License: MIT
- Author: FridrichMethod (https://skillmd.com/u/fridrichmethod)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/fridrichmethod/chematagent-drug-discovery

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# 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**:
```bash
python -m chematagent.design --scaffold "Aspirin" --objective "maximize solubility"
```


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