Similar repositories to pandegroup/KDML:
pandegroup/KDML
github
similar
cooperative-computing-lab/awe
github
similar
markovmodel/pytram
github
similar
choderalab/cadd-grc-2013
github
similar
brycecr/msmexplorer
github
similar
gnina/SolTranNet
github
similar
ymatsunaga/mdtoolbox
github
similar
bhmm/bhmm
github
similar
sbl-sdsc/mmtf-workshop-2018
github
similar
undeadpixel/reinvent-randomized
github
similar
john-bradshaw/molecule-chef
github
similar
PatWalters/rd_filters
github
similar
choderalab/espaloma
github
similar
Electrostatics/apbs-pdb2pqr
github
similar
choderalab/pymbar
github
similar
minepy/minepy
github
similar
DSPsleeporg/smiles-transformer
github
similar
Acellera/htmd
github
similar
MarcusOlivecrona/REINVENT
github
similar
plumed/plumed2
github
similar
jparkhill/TensorMol
github
similar
ParmEd/ParmEd
github
similar
prody/ProDy
github
similar
isayev/ReLeaSE
github
similar
MolSSI/cookiecutter-cms
github
similar
Pymol-Scripts/Pymol-script-repo
github
similar
mdtraj/mdtraj
github
similar
maxhodak/keras-molecules
github
similar
chainer/chainer-chemistry
github
similar
nglviewer/nglview
github
similar
MikeInnes/diff-zoo
github
similar
pyscf/pyscf
github
similar
chemprop/chemprop
github
similar
materialsproject/pymatgen
github
similar
openmm/openmm
github
similar
rdkit/rdkit
github
similar
greenelab/deep-review
github
similar
JasperSnoek/spearmint
github
similar
SciML/SciMLBook
github
similar
stan-dev/stan
github
similar