Similar repositories to arafune/vaspy:
arafune/vaspy
github
similar
ldwillia/SL3ME
github
similar
mala-project/mala
github
similar
jxzhangjhu/MatDesINNe
github
similar
materialsvirtuallab/pymatgen-analysis-diffusion
github
similar
deepchem/moleculenet
github
similar
qzhu2017/ComputationalPhysics300
github
similar
usnistgov/alignn
github
similar
henniggroup/VASPsol
github
similar
pierrehirel/atomsk
github
similar
romerogroup/pyprocar
github
similar
deepmodeling/dpgen
github
similar
rouyang2017/SISSO
github
similar
TUM-DAML/gemnet_pytorch
github
similar
materialsvirtuallab/matgenb
github
similar
atomistic-machine-learning/SchNet
github
similar
materialsvirtuallab/maml
github
similar
pyiron/pyiron
github
similar
deepqmc/deepqmc
github
similar
aiqm/torchani
github
similar
Open-Catalyst-Project/ocp
github
similar
materialsvirtuallab/megnet
github
similar
txie-93/cgcnn
github
similar
atomistic-machine-learning/schnetpack
github
similar
materialsproject/pymatgen
github
similar
deepmodeling/deepmd-kit
github
similar
google/active-learning
github
similar
modAL-python/modAL
github
similar
facebook/Ax
github
similar
bencbartlett/3D-printed-mirror-array
github
similar
openai/DALL-E
github
similar
horovod/horovod
github
similar