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@NovoMCP

NovoMCP

The open computational chemistry engine

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  1. novomcp novomcp Public

    The open computational chemistry engine for drug discovery and materials science; MCP + REST + Workbench + Next.js dashboard, wrapping RDKit, GROMACS, AutoDock, OpenFold, Chai, Boltz, Gnina.

    Python 6 1

  2. novomcp-word-sideload novomcp-word-sideload Public

    NovoMCP Word add-in (sideload build) — molecule profiles and ADMET in Microsoft Word.

    TypeScript

  3. novomcp-chrome-sideload novomcp-chrome-sideload Public

    NovoMCP Chrome extension (sideload build) — molecule profiles and ADMET in your browser.

    TypeScript

Repositories

Showing 10 of 16 repositories
  • novomcp Public

    The open computational chemistry engine for drug discovery and materials science; MCP + REST + Workbench + Next.js dashboard, wrapping RDKit, GROMACS, AutoDock, OpenFold, Chai, Boltz, Gnina.

    NovoMCP/novomcp's past year of commit activity
    Python 6 1 1 0 Updated Oct 22, 2026
  • novomcp-qm Public

    Quantum-chemistry service (xTB, CREST, ALCHEMI batched conformer search) for the NovoMCP engine

    NovoMCP/novomcp-qm's past year of commit activity
    Python 1 Apache-2.0 0 0 0 Updated Oct 19, 2026
  • gromacs-md Public

    GPU molecular-dynamics service (GROMACS) for the NovoMCP engine.

    NovoMCP/gromacs-md's past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Oct 19, 2026
  • autodock-gpu Public

    GPU molecular docking service (AutoDock-GPU + AutoGrid) for the NovoMCP engine

    NovoMCP/autodock-gpu's past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Oct 17, 2026
  • novomcp-properties Public

    Molecular property service (pKa, solubility, BDE) for the NovoMCP engine.

    NovoMCP/novomcp-properties's past year of commit activity
    Python 1 Apache-2.0 0 0 0 Updated Oct 17, 2026
  • novomcp-chrome-sideload Public

    NovoMCP Chrome extension (sideload build) — molecule profiles and ADMET in your browser.

    NovoMCP/novomcp-chrome-sideload's past year of commit activity
    TypeScript 0 0 0 0 Updated Oct 16, 2026
  • novomcp-word-sideload Public

    NovoMCP Word add-in (sideload build) — molecule profiles and ADMET in Microsoft Word.

    NovoMCP/novomcp-word-sideload's past year of commit activity
    TypeScript 0 0 0 0 Updated Oct 16, 2026
  • novomcp-lite Public

    Lightweight cheminformatics MCP server — RDKit properties and public-API search, no backend required.

    NovoMCP/novomcp-lite's past year of commit activity
    Python 2 Apache-2.0 0 0 0 Updated Oct 16, 2026
  • addie-models Public

    ADMET prediction service — 31 ML models — for the NovoMCP engine.

    NovoMCP/addie-models's past year of commit activity
    Python 0 Apache-2.0 0 1 0 Updated Oct 11, 2026
  • novomcp-neb Public

    NEB transition-state search service (ASE + xTB) for the NovoMCP engine

    NovoMCP/novomcp-neb's past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Sep 28, 2026
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