Similar repositories to charnley/rmsd:
charnley/rmsd
github
similar
danistefanovic/build-your-own-x
github
similar
grimme-lab/xtb
github
similar
prody/ProDy
github
similar
openmm/pdbfixer
github
similar
cclib/cclib
github
similar
haddocking/pdb-tools
github
similar
gnina/gnina
github
similar
jensengroup/xyz2mol
github
similar
google-research/tuning_playbook
github
similar
samirelanduk/atomium
github
similar
torchmd/torchmd
github
similar
openforcefield/openff-toolkit
github
similar
psi4/psi4
github
similar
mir-group/nequip
github
similar
qmlcode/qml
github
similar
HannesStark/EquiBind
github
similar
lightdock/lightdock
github
similar
atomistic-machine-learning/schnetpack
github
similar
jhrmnn/pyberny
github
similar
drorlab/atom3d
github
similar
duartegroup/autodE
github
similar
pharmai/plip
github
similar
lukasturcani/stk
github
similar
jonathanking/sidechainnet
github
similar
leeping/geomeTRIC
github
similar
Acellera/moleculekit
github
similar
pyscf/pyscf
github
similar
mdtraj/mdtraj
github
similar
lmmentel/awesome-python-chemistry
github
similar
SINGROUP/dscribe
github
similar
volkamerlab/teachopencadd
github
similar
psi4/psi4numpy
github
similar
openmm/openmm
github
similar
LPDI-EPFL/masif
github
similar
MolSSI/cookiecutter-cms
github
similar
openbabel/openbabel
github
similar
FabianFuchsML/se3-transformer-public
github
similar
aiqm/torchani
github
similar
mittinatten/freesasa
github
similar