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MCP server exposing REINVENT4 generative molecule design as LLM-callable tools sampling, transfer learning, staged RL with interactive scoring-function design, custom scoring plugins, and generated-molecule analysis. Runs in Docker with GPU

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de-novo-designdockerdrug-discoverydrug-discovery-aigenerative-chemistrymodel-context-protocolmolecular-designmolecular-design-toolrdkit
Language
Python
License
Apache License 2.0
Size
614 KB
Created
Aug 9, 2026
Last Updated
Aug 10, 2026
Last Pushed
Aug 9, 2026

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