Skip to content
@NovoMCP

NovoMCP

The open computational chemistry engine

Pinned Loading

  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 5 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-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 1 Updated Oct 1, 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 1, 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 1, 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 Sep 28, 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
  • 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 1 Updated Sep 28, 2026
  • novomcp-nnp Public

    Neural network potential service (ANI-2x, MACE-MP-0) for the NovoMCP engine — energies, forces, geometry optimization, batched relaxation

    NovoMCP/novomcp-nnp's past year of commit activity
    Python 2 Apache-2.0 0 0 0 Updated Sep 28, 2026
  • 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 5 1 1 0 Updated Sep 28, 2026
  • chem-props Public

    RDKit molecular property service (properties + QED v2 druglikeness) for the NovoMCP engine

    NovoMCP/chem-props's past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Sep 28, 2026
  • similarity-index Public

    FPSim2 exact-Tanimoto similarity search over the NovoMCP Open Corpus — the reference NOVOMCP_MOLECULE_INDEX_URL service.

    NovoMCP/similarity-index's past year of commit activity
    Python 0 Apache-2.0 0 1 0 Updated Sep 9, 2026
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…