Deepchem
MCP Serverby hxk622 · Added 5mo ago
Claude
4
Install
git clone https://github.com/hxk622/TokenDanceAdd to Claude
claude mcp add deepchemQuick Setup Config
Copy & paste ready~/Library/Application Support/Claude/claude_desktop_config.json (macOS) %APPDATA%\Claude\claude_desktop_config.json (Windows)
{
"mcpServers": {
"deepchem": {
"command": "npx",
"args": [
"@modelcontextprotocol/deepchem"
]
}
}
}Paste into your Claude Desktop config file, then restart Claude.
About
Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.
Tags
ai-mlpythongobashgitskill