13 projects
OpenMM-Setup
OpenMM Setup: User interface for preparing and running OpenMM simulations
deepchem
Deep learning models for drug discovery, quantum chemistry, and the life sciences.
pdbfixer
pdbfixer: Fixes problems in PDB files
OpenMM
Python wrapper for OpenMM (a C++ MD package)
OpenMM-HIP-7
HIP platform for OpenMM
OpenMM-HIP-6
HIP platform for OpenMM
OpenMM-CUDA-13
CUDA platform for OpenMM
OpenMM-CUDA-12
CUDA platform for OpenMM
openmmml
OpenMM-ML: A high level API for using machine learning models in OpenMM simulations
openmmtorch
None
OpenMM-Torch-CUDA-13
CUDA platform for OpenMM-Torch
OpenMM-Torch-CUDA-12
CUDA platform for OpenMM-Torch
sphinxcontrib-autodoc-doxygen
Doxygen / Sphinx bridge, with autodoc and autosummary
