NovoMCP
The open computational chemistry engine
- 1 follower
- United States of America
- https://novomcp.com/
- in/ariharrisonlab
- company/novomcp
- ari@novomcp.com
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Repositories
Showing 10 of 16 repositories
- similarity-index Public
FPSim2 exact-Tanimoto similarity search over the NovoMCP Open Corpus — the reference NOVOMCP_MOLECULE_INDEX_URL service.
- 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-chrome-sideload Public
- novomcp-word-sideload Public
- novomcp-nnp Public
Neural network potential service (ANI-2x, MACE-MP-0) for the NovoMCP engine — energies, forces, geometry optimization, batched relaxation
- novomcp-similarity-index Public archive
- novomcp-properties Public
- novomcp-qm Public
Quantum-chemistry service (xTB, CREST, ALCHEMI batched conformer search) for the NovoMCP engine
- novomcp-lite Public
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