Similar repositories to jparkhill/TensorMol:
jparkhill/TensorMol
github
similar
isayev/ASE_ANI
github
similar
danistefanovic/build-your-own-x
github
similar
aiqm/torchani
github
similar
atomistic-machine-learning/schnetpack
github
similar
openforcefield/openff-toolkit
github
similar
Autodesk/molecular-design-toolkit
github
similar
Teoroo-CMC/PiNN
github
similar
SINGROUP/dscribe
github
similar
stefanch/sGDML
github
similar
Mariewelt/OpenChem
github
similar
plumed/plumed2
github
similar
leeping/forcebalance
github
similar
grimme-lab/xtb
github
similar
Acellera/htmd
github
similar
dftbplus/dftbplus
github
similar
jhrmnn/pyberny
github
similar
nglviewer/nglview
github
similar
i-pi/i-pi
github
similar
libAtoms/QUIP
github
similar
atomistic-machine-learning/dtnn
github
similar
CompPhysVienna/n2p2
github
similar
muammar/ml4chem
github
similar
aiqm/aimnet
github
similar
jensengroup/xyz2mol
github
similar
chainer/chainer-chemistry
github
similar
chemlab/chemlab
github
similar
psi4/psi4
github
similar
SUNCAT-Center/CatLearn
github
similar
mdtraj/mdtraj
github
similar
chemfiles/chemfiles
github
similar
cclib/cclib
github
similar
psi4/psi4numpy
github
similar
markovmodel/deeptime
github
similar
sha256feng/mldl-md-dynamics
github
similar
choderalab/openmmtools
github
similar
biklooost/PROPhet
github
similar
Colvars/colvars
github
similar
atomistic-machine-learning/SchNet
github
similar
torchmd/torchmd
github
similar