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    6 repositories

    • ligdream

      Public
      Novel molecules from a reference shape!
      python3generative-modeldrug-discovery
      Jupyter Notebook
      •
      GNU Affero General Public License v3.0
      •24•81•4•0•Updated Jan 30, 2024Jan 30, 2024

    • playmolecule.io

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Jul 25, 2023Jul 25, 2023

    • .github

      Public
      0•0•0•0•Updated Jul 17, 2023Jul 17, 2023

    • torchmd-net

      Public
      Neural network potentials based on graph neural networks and equivariant transformers
      Python
      •
      MIT License
      •78•0•0•0•Updated Jul 10, 2023Jul 10, 2023

    • torchmd

      Public
      End-To-End Molecular Dynamics (MD) Engine using PyTorch
      Python
      •
      MIT License
      •77•0•0•0•Updated Jul 5, 2023Jul 5, 2023

    • playmolecule

      Public
      0•0•0•0•Updated Nov 7, 2020Nov 7, 2020