Similar repositories to moleculediscovery/workshop2021:
moleculediscovery/workshop2021
github
similar
srush/GPU-Puzzles
github
similar
sparks-baird/matbench-genmetrics
github
similar
ur-whitelab/wazy
github
similar
modelyst/dbgen
github
similar
xlxgit/AlogP-DL
github
similar
MaterialEyes/exsclaim
github
similar
unmtransinfo/ProteinGraphML
github
similar
binghuang2018/aqml
github
similar
qcscine/molassembler
github
similar
cosmo-epfl/scikit-cosmo
github
similar
lab-cosmo/scikit-cosmo
github
similar
kjappelbaum/pyepal
github
similar
lich-uct/syba
github
similar
reymond-group/drfp
github
similar
WardLT/applied-ai-for-materials
github
similar
cosmo-epfl/sketchmap
github
similar
mjwen/bondnet
github
similar
Kohulan/Smiles-TO-iUpac-Translator
github
similar
rxn4chemistry/rxnfp
github
similar
mir-group/allegro
github
similar
cosmo-epfl/librascal
github
similar
reymond-group/mhfp
github
similar
reymond-group/map4
github
similar
deepchem/jaxchem
github
similar
aspuru-guzik-group/stoned-selfies
github
similar
benb111/awesome-small-molecule-ml
github
similar
electronic-structure/SIRIUS
github
similar
pckroon/pysmiles
github
similar
choderalab/espaloma
github
similar
ireis/PRF
github
similar
microsoft/FS-Mol
github
similar
GT4SD/gt4sd-core
github
similar
ur-whitelab/exmol
github
similar
atomistic-machine-learning/SchNet
github
similar
johannesjmeyer/rsmf
github
similar
jensengroup/xyz2mol
github
similar
FlorianMarquardt/machine-learning-for-physicists
github
similar
wengong-jin/hgraph2graph
github
similar
hsiaoyi0504/awesome-cheminformatics
github
similar