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ChemProp — directed message passing neural network (D-MPNN) for molecular property prediction from SMILES. Train classification, regression, or multiclass models with atom/bond featurization, scaffold
Use with AI
Install the MCP server or CLI to instantly fetch Chemprop documentation:
Install command
claude mcp add biocontext7 -- npx @biocontext7/mcpOr share this page: biocontext7.com/tools/chemprop
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