name: chemistry-agent
description: Autonomous chemical synthesis & analysis
keywords:
- chemistry
- synthesis
- molecules
- reaction
- lab-automation
measurable_outcome: Successfully plans valid synthesis routes for 90% of target small molecules.
license: MIT
metadata:
author: Biomedical OS Team
version: "1.0.0"
compatibility:
- system: Python 3.10+
allowed-tools:
- run_shell_command
- read_file
- write_file
Chemistry Agent
The Chemistry Agent is a specialized module for autonomous chemical reasoning, synthesis planning, and property prediction. It integrates with computational chemistry tools and potentially lab automation hardware.
When to Use This Skill
When you need to design a synthesis route for a molecule.
When predicting chemical properties (solubility, toxicity).
When analyzing reaction mechanisms.
Core Capabilities
Retrosynthesis: Planning backward from target to starting materials.
1---2name: chemistry-agent3description: <!--4---5<!--6# COPYRIGHT NOTICE7# This file is part of the "Universal Biomedical Skills" project.8# Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu>9# All Rights Reserved.10#11# This code is proprietary and confidential.12# Unauthorized copying of this file, via any medium is strictly prohibited.13#14# Provenance: Authenticated by MD BABU MIA1516-->1718---19name: chemistry-agent20description: Autonomous chemical synthesis & analysis21keywords:22 - chemistry23 - synthesis24 - molecules25 - reaction26 - lab-automation27measurable_outcome: Successfully plans valid synthesis routes for 90% of target small molecules.28license: MIT29metadata:30 author: Biomedical OS Team31 version: "1.0.0"32compatibility:33 - system: Python 3.10+34allowed-tools:35 - run_shell_command36 - read_file37 - write_file38---3940# Chemistry Agent4142The Chemistry Agent is a specialized module for autonomous chemical reasoning, synthesis planning, and property prediction. It integrates with computational chemistry tools and potentially lab automation hardware.4344## When to Use This Skill4546* When you need to design a synthesis route for a molecule.47* When predicting chemical properties (solubility, toxicity).48* When analyzing reaction mechanisms.4950## Core Capabilities51521. **Retrosynthesis**: Planning backward from target to starting materials.532. **Property Prediction**: Estimating physicochemical properties.543. **Reaction Optimization**: Suggesting optimal conditions.5556## Example Usage5758**User**: "Plan a synthesis route for Aspirin."5960**Agent Action**:61```bash62python3 src/chemistry/main.py --target "Aspirin" --task "retrosynthesis"63```646566<!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->
Run npx skillmds@latest add biotender-max/chemistry-agent 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.
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BioTender-max (@biotender-max) published this skill. Their other Agent Skills are listed on their SkillMD profile.
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