Similar repositories to bytedance/FermiNet_with_ECP:
bytedance/FermiNet_with_ECP
github
similar
Jeff-oakley/NASICON_Predictor_Data
github
similar
mfkasim1/xcnn
github
similar
prashungorai/combined-gnn
github
similar
orlandoacevedo/GAML
github
similar
smutao/PyVibMS
github
similar
bytedance/DeepSolid
github
similar
pyscf/gpu4pyscf
github
similar
rinikerlab/EquivariantMultipoleGNN
github
similar
bytedance/markov-molecular-sampling
github
similar
aspuru-guzik-group/Computer-vision-for-the-chemistry-lab
github
similar
dftlibs/xcauto
github
similar
mala-project/mala
github
similar
openkim/kliff
github
similar
choderalab/gimlet
github
similar
shuaigroup/Renormalizer
github
similar
Saoge123/ccgnet
github
similar
openforcefield/openff-evaluator
github
similar
openforcefield/openff-fragmenter
github
similar
deepmodeling/DMFF
github
similar
qubekit/QUBEKit
github
similar
TinkerTools/tinker9
github
similar
aimat-lab/gcnn_keras
github
similar
vasp-dev/py4vasp
github
similar
ajz34/Py_xDH
github
similar
selimsami/qforce
github
similar
materialsvirtuallab/m3gnet
github
similar
superlouis/GATGNN
github
similar
deepmaterials/dlmatreview
github
similar
torchmd/torchmd-net
github
similar
TinkerTools/tinker
github
similar
chembl/FPSim2
github
similar
luancarvalhomartins/PyAutoFEP
github
similar
learningmatter-mit/geom
github
similar
m3g/packmol
github
similar
rosswhitfield/ase
github
similar
diffqc/dqc
github
similar
Mishima-syk/psikit
github
similar
GLambard/Molecules_Dataset_Collection
github
similar
leeping/forcebalance
github
similar