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1. NovoMCP/novomcp 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/addie-models NovoMCP/addie-models Public

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

   Python

3. ariharrisonlab.github.io ariharrisonlab.github.io Public

   My personal site

   HTML

4. bio-attn-viz-clean bio-attn-viz-clean Public

   An interactive web application for visualizing attention mechanisms in BioBERT on biomedical text.

   Python

5. NovoMD NovoMD Public

   Molecular dynamics simulations, protein-ligand docking, and conformational analysis.

   Python 3 3