Similar repositories to openmm/openmm:
openmm/openmm
github
similar
danistefanovic/build-your-own-x
github
similar
mdtraj/mdtraj
github
similar
MDAnalysis/mdanalysis
github
similar
ParmEd/ParmEd
github
similar
openmm/pdbfixer
github
similar
openforcefield/openff-toolkit
github
similar
nglviewer/nglview
github
similar
choderalab/openmmtools
github
similar
gromacs/gromacs
github
similar
rdkit/rdkit
github
similar
schrodinger/pymol-open-source
github
similar
psi4/psi4
github
similar
choderalab/yank
github
similar
plumed/plumed2
github
similar
lammps/lammps
github
similar
openbabel/openbabel
github
similar
atomistic-machine-learning/schnetpack
github
similar
torchmd/torchmd
github
similar
pyscf/pyscf
github
similar
google/jax-md
github
similar
openmm/openmmforcefields
github
similar
aiqm/torchani
github
similar
MolSSI/cookiecutter-cms
github
similar
grimme-lab/xtb
github
similar
prody/ProDy
github
similar
leeping/forcebalance
github
similar
Acellera/htmd
github
similar
markovmodel/PyEMMA
github
similar
volkamerlab/teachopencadd
github
similar
gnina/gnina
github
similar
tuvtran/project-based-learning
github
similar
Mariewelt/OpenChem
github
similar
tootsuite/mastodon
github
similar
deepmodeling/deepmd-kit
github
similar
nglviewer/ngl
github
similar
nwchemgit/nwchem
github
similar
openmm/openmm-torch
github
similar
a-r-j/graphein
github
similar
choderalab/pymbar
github
similar