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@Acellera

Acellera

Towards Computerized Drug Discovery

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  1. htmd htmd Public

    HTMD: Programming Environment for Molecular Discovery

    Rich Text Format 267 61

  2. moleculekit moleculekit Public

    MoleculeKit: Your favorite molecule manipulation kit

    Python 219 37

Repositories

Showing 10 of 34 repositories
  • openmm-onnx Public Forked from openmm/openmm-onnx

    Plugin for using ONNX models in OpenMM

    Acellera/openmm-onnx’s past year of commit activity
    C++ 0 MIT 2 0 0 Updated May 15, 2025
  • acegen-open Public

    Language models for drug discovery using torchrl

    Acellera/acegen-open’s past year of commit activity
    Python 86 MIT 13 0 1 Updated May 14, 2025
  • moleculekit Public

    MoleculeKit: Your favorite molecule manipulation kit

    Acellera/moleculekit’s past year of commit activity
    Python 219 37 7 1 Updated May 9, 2025
  • aceff_examples Public
    Acellera/aceff_examples’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 7, 2025
  • openmm-torch Public Forked from openmm/openmm-torch

    OpenMM plugin to define forces with neural networks

    Acellera/openmm-torch’s past year of commit activity
    C++ 0 29 0 1 Updated Apr 30, 2025
  • atm Public
    Acellera/atm’s past year of commit activity
    Python 2 3 0 1 Updated Apr 29, 2025
  • openmm Public Forked from openmm/openmm

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

    Acellera/openmm’s past year of commit activity
    C++ 0 555 0 1 Updated Apr 28, 2025
  • quantumbind_rbfe Public

    Input files and binding free energy values from our benchmark with QuantumBind-RBFE

    Acellera/quantumbind_rbfe’s past year of commit activity
    Jupyter Notebook 14 1 2 0 Updated Apr 16, 2025
  • htmd Public

    HTMD: Programming Environment for Molecular Discovery

    Acellera/htmd’s past year of commit activity
    Rich Text Format 267 61 6 0 Updated Apr 11, 2025
  • ffevaluation Public

    Forcefield evaluation in python using numba

    Acellera/ffevaluation’s past year of commit activity
    Python 4 2 2 0 Updated Apr 10, 2025
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