Deepchem
DeepChem analyzes chemical structures and properties to predict drug candidates & accelerate research by identifying promising compounds.
Install on your platform
We auto-selected Claude Code based on this skill’s supported platforms.
Run in terminal (recommended)
claude mcp add deepchem npx -- -y @trustedskills/deepchem
Or manually add to ~/.claude/settings.json
{
"mcpServers": {
"deepchem": {
"command": "npx",
"args": [
"-y",
"@trustedskills/deepchem"
]
}
}
}Requires Claude Code (claude CLI). Run claude --version to verify your install.
About This Skill
What it does
This skill provides access to deep learning models for chemistry, enabling tasks like predicting molecular properties, identifying potential drug candidates, and analyzing chemical reactions. It leverages a robust framework for building and applying machine learning algorithms to chemical data. The tool supports various model types and datasets, allowing for flexible experimentation and analysis.
When to use it
- Drug Discovery: Predict the efficacy or toxicity of novel compounds.
- Materials Science: Estimate properties of new materials based on their composition.
- Chemical Reaction Analysis: Analyze reaction outcomes and optimize conditions.
- Molecular Property Prediction: Accurately estimate physical and chemical properties of molecules.
Key capabilities
- Predicting molecular properties
- Identifying potential drug candidates
- Analyzing chemical reactions
- Utilizing various model types
- Supporting diverse datasets
Example prompts
- "Can you predict the solubility of this molecule?" (followed by SMILES string)
- "What are the most promising drug candidates for treating [disease] based on these molecular structures?"
- “Analyze this chemical reaction and suggest ways to improve yield.”
Tips & gotchas
- Requires familiarity with chemistry terminology and concepts.
- Input data should be in a supported format, such as SMILES strings or molecular files.
Tags
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Security Audits
| Gen Agent Trust Hub | Pass |
| Socket | Pass |
| Snyk | Pass |
🌐 Community
Passed automated security scans.