How do I install the Chematagent Drug Discovery skill?

Run npx skillmds@latest add biotender-max/chematagent-drug-discovery in your terminal (requires Node.js), paste this page's agent-chat prompt into Claude, Cursor, or any MCP-connected agent, or download the SKILL.md file and copy it into your agent's skills directory.

What does the Chematagent Drug Discovery skill do?

<!-- It is listed under Product & Planning on SkillMD.

Is Chematagent Drug Discovery safe to use?

This skill has not completed SkillMD's automated safety review yet. SkillMD never runs a skill's scripts for you; review the SKILL.md before installing.

Which AI agents work with Chematagent Drug Discovery?

This skill is tagged as working with Claude Code, Claude.ai, OpenAI Codex. SKILL.md is an open format, so most agents that read a skills directory can load it too.

Is Chematagent Drug Discovery free to use?

Yes. Installing skills from SkillMD is free, and the skill stays under its author's original license.

Who published Chematagent Drug Discovery?

BioTender-max (@biotender-max) published this skill. Their other Agent Skills are listed on their SkillMD profile.

Chematagent Drug Discovery by biotender-max

Name: Chematagent Drug Discovery
Author: BioTender-max

File contents

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

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:

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

---name: chematagent-drug-discoverydescription: ---name: chematagent-drug-discoverydescription: Chemical Lab Agentkeywords: - chemistry - drug-discovery - tools - synthesis - property-predictionmeasurable_outcome: Plan a synthesis route and predict ADMET properties for a candidate molecule with >80% validity.license: MITmetadata: author: CheMatAgent Team version: "1.0.0"compatibility: - system: Python 3.9+allowed-tools: - run_shell_command - read_file---# CheMatAgentA 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 Capabilities1. **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.## Workflow1. **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**:```bashpython -m chematagent.design --scaffold "Aspirin" --objective "maximize solubility"```

Frequently asked questions

Chematagent Drug Discovery