solitarius
01Plugin Claude Code
REINVENT4 de novo molecular design, exposed to coding agents as validated MCP tools.
0 23d ago A
tokens not measured
original Apache-2.0
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
Plugin Claude Code
REINVENT4 de novo molecular design, exposed to coding agents as validated MCP tools.
Plugin Claude Code
REINVENT4 de novo molecular design as MCP tools — sampling, transfer learning, staged RL with interactive scoring-function design, custom scoring components, and generated-molecule analysis. PREREQUISITE: build and start the GPU Docker container first (see README) — without it the tools load but every call fails.