Similar repositories to qai222/CrystalGraph:
qai222/CrystalGraph
github
similar
COMCIFS/TopoCif
github
similar
aspuru-guzik-group/curiosity
github
similar
odf/systreKey
github
similar
learningmatter-mit/Zeolite-Graph-Similarity
github
similar
hstern2/amsr
github
similar
ur-whitelab/peptide-dashboard
github
similar
aclarkxyz/data_coordinchi
github
similar
CederGroupHub/LimeSoup
github
similar
aspuru-guzik-group/selfies_tutorial
github
similar
vincefn/objcryst
github
similar
ftherrien/p2ptrans
github
similar
nextmovesoftware/molhash
github
similar
odf/gavrog
github
similar
aplbrain/grandiso-networkx
github
similar
ML4QTech/Collection
github
similar
whitead/nlcc
github
similar
Kohulan/Smiles-TO-iUpac-Translator
github
similar
ML4chemArg/Intro-to-Machine-Learning-in-Chemistry
github
similar
txie-93/gdynet
github
similar
google-research/graph-attribution
github
similar
aoterodelaroza/critic2
github
similar
Tony-Y/cgnn
github
similar
aspuru-guzik-group/stoned-selfies
github
similar
vxfung/MatDeepLearn
github
similar
gmum/huggingmolecules
github
similar
ur-whitelab/exmol
github
similar
mrzv/dionysus
github
similar
SMTG-UCL/sumo
github
similar
wjm41/molplotly
github
similar
jensengroup/xyz2mol
github
similar
FlorianMarquardt/machine-learning-for-physicists
github
similar
whitead/dmol-book
github
similar
isayev/ASE_ANI
github
similar
mufeili/DL4MolecularGraph
github
similar
brain-research/mpnn
github
similar
hackingmaterials/atomate
github
similar
aspuru-guzik-group/selfies
github
similar
phonopy/phonopy
github
similar
materialsproject/fireworks
github
similar