About Solitarius MCP
Solitarius MCP is an MCP server in the Documentation category: 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.
Install
git clone https://github.com/lcmd-epfl/Solitarius-mcpThis server has no ConduID identity, so agent calls to it are not receipted. Pin the version you install and review the source before granting it credentials.
Tools (2)
reinvent_validate_inputCheck (and optionally clean) a SMILES/CSV input file for validity and format issues before it reaches a generator.
Parameters not published.
reinvent_validate_tomlValidate a complete REINVENT TOML config against the `ReinventConfig` schema before execution.
Parameters not published.
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