@peterspackman/selfies

SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry

v0.2.0 URL: https://unpkg.com/@peterspackman/selfies@0.2.0/dist/index.js

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selfies chemistry molecules smiles graph representation machine-learning cheminformatics molecular-generation drug-discovery

@cyanheads/pubchem-mcp-server

A Model Context Protocol (MCP) server providing comprehensive LLM tools for the PubChem PUG REST API.

v1.0.2 URL: https://unpkg.com/@cyanheads/pubchem-mcp-server@1.0.2/dist/index.js

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mcp mcp-server model-context-protocol ai-agent llm pubchem chemistry cheminformatics bioinformatics drug-discovery scientific-computing api-wrapper typescript hono zod