Similar repositories to openmm/NNPOps:

• openmm/NNPOps github similar
• openmm/openmm-ml github similar
• isayevlab/aimnetnse github similar
• aiqm/aimnet github similar
• openmm/openmm-torch github similar
• danistefanovic/build-your-own-x github similar
• choderalab/qmlify github similar
• torchmd/torchmd-net github similar
• choderalab/espaloma github similar
• aiqm/ANI1x_datasets github similar
• openforcefield/openff-bespokefit github similar
• isayevlab/Auto3D_pkg github similar
• choderalab/gimlet github similar
• pengxingang/Pocket2Mol github similar
• wjm41/soapgp github similar
• qubekit/QUBEKit github similar
• insilichem/ommprotocol github similar
• openmm/spice-dataset github similar
• e3nn/e3nn-jax github similar
• choderalab/neutromeratio github similar
• openforcefield/openff-qcsubmit github similar
• ghutchis/conformer-benchmark github similar
• ljmartin/dockop github similar
• volkamerlab/plipify github similar
• grimme-lab/crest github similar
• msultan/tf_metadynamics github similar
• lanl/PYSEQM github similar
• pytorch/multipy github similar
• OpenFreeEnergy/openfe github similar
• learningmatter-mit/NeuralForceField github similar
• mir-group/nequip github similar
• Mishima-syk/psikit github similar
• proteneer/timemachine github similar
• choderalab/yank github similar
• ur-whitelab/hoomd-tf github similar
• chemalot/openmm-ani github similar
• isayevlab/pKa-ANI github similar
• torchmd/mdgrad github similar
• mir-group/flare github similar
• risilab/cormorant github similar