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chematagent-drug-discovery

维护者 FreedomIntelligence · 最近更新 2026年4月1日

CheMatAgent: chemistry-aware drug design with retrosynthesis and property optimization.

OpenClawNanoClaw分析处理复现实验chematagent-drug-discovery🧠 bioos extended suitedrug discovery & designchematagent

原始来源

FreedomIntelligence/OpenClaw-Medical-Skills

https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/chematagent-drug-discovery

维护者
FreedomIntelligence
许可
MIT
最近更新
2026年4月1日

技能摘要

来自 SKILL.md 的关键信息

2 min

核心说明

  • two-tiered agent system ，支持 access to 137 Python-wrapped chemical tools ，用于 drug discovery 、 材料科学。
  • Molecule Design：Generating novel structures ，支持 specific properties。
  • Property Prediction：Estimating solubility，toxicity，、 bioactivity。
  • Synthesis Planning：Designing retro-synthetic routes。
  • Molecule Design：Generating novel structures ，支持 specific properties. Property Prediction：Estimating solubility，toxicity，、 bioactivity. * Synthesis Planning：Designing retro-synthetic routes。

原始文档

SKILL.md 摘录

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:

适用场景

  • Use chematagent-drug-discovery ，用于 medicinal chemistry 、 drug-discovery work。
  • Apply chematagent-drug-discovery to compound，target，或 screening workflows。

不适用场景

  • Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。

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