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@genesistherapeutics

Genesis Molecular AI

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  1. pairmixer pairmixer Public

    Python 17 1

  2. paper-jtnn paper-jtnn Public

    Forked from wengong-jin/icml18-jtnn

    Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

    Python

  3. latent-class-analysis latent-class-analysis Public

    Forked from dasirra/latent-class-analysis

    LCA implementation for python

    Jupyter Notebook

  4. molstar molstar Public

    Forked from molstar/molstar

    Molstar with modifications

    TypeScript

  5. QCEngine QCEngine Public

    Forked from MolSSI/QCEngine

    Quantum chemistry program executor and IO standardizer (QCSchema).

    Python

  6. mdtraj mdtraj Public

    Forked from mdtraj/mdtraj

    An open library for the analysis of molecular dynamics trajectories

    C

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Showing 10 of 12 repositories
  • tmd Public Forked from tmd-industries/tmd
    genesistherapeutics/tmd’s past year of commit activity
    Python 0 2 0 1 Updated Mar 16, 2026
  • CENSO Public Forked from grimme-lab/CENSO

    CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

    genesistherapeutics/CENSO’s past year of commit activity
    Python 0 LGPL-3.0 18 0 0 Updated Feb 6, 2026
  • openff-bespokefit Public Forked from openforcefield/openff-bespokefit

    Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.

    genesistherapeutics/openff-bespokefit’s past year of commit activity
    Python 0 MIT 12 0 0 Updated Jan 22, 2026
  • pairmixer Public
    genesistherapeutics/pairmixer’s past year of commit activity
    Python 17 MIT 1 1 0 Updated Dec 6, 2025
  • molstar Public Forked from molstar/molstar

    Molstar with modifications

    genesistherapeutics/molstar’s past year of commit activity
    TypeScript 0 MIT 230 0 0 Updated Sep 9, 2025
  • grand Public Forked from essex-lab/grand

    A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

    genesistherapeutics/grand’s past year of commit activity
    Python 0 MIT 20 0 0 Updated Aug 30, 2024
  • openmm Public Forked from openmm/openmm

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    genesistherapeutics/openmm’s past year of commit activity
    C++ 0 597 0 0 Updated Mar 28, 2024
  • mdtraj Public Forked from mdtraj/mdtraj

    An open library for the analysis of molecular dynamics trajectories

    genesistherapeutics/mdtraj’s past year of commit activity
    C 0 LGPL-2.1 291 0 0 Updated Mar 11, 2024
  • pmx Public Forked from deGrootLab/pmx

    Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

    genesistherapeutics/pmx’s past year of commit activity
    Python 0 LGPL-3.0 74 0 0 Updated Feb 9, 2024
  • QCEngine Public Forked from MolSSI/QCEngine

    Quantum chemistry program executor and IO standardizer (QCSchema).

    genesistherapeutics/QCEngine’s past year of commit activity
    Python 0 BSD-3-Clause 87 0 0 Updated Jan 16, 2024
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