Similar repositories to rhyan10/G-SchNetOE62:
rhyan10/G-SchNetOE62
github
similar
abilsland/fragmentEncoder
github
similar
RuudFirsa/Smiles-GEN
github
similar
pnnl/mol_dgnn
github
similar
Kohulan/DECIMER-Java
github
similar
ibm-research-tokyo/graph_grammar
github
similar
reymond-group/CASP-and-dataset-performance
github
similar
bigchem/retrosynthesis
github
similar
greglandrum/RSC_OpenScience_Standardization_202104
github
similar
PatWalters/solubility
github
similar
tsudalab/ChemGE
github
similar
PatWalters/Free-Wilson
github
similar
czodrowskilab/VSFlow
github
similar
lucidrains/molecule-attention-transformer
github
similar
coleygroup/pyscreener
github
similar
frnsys/retrosynthesis_planner
github
similar
bioinf-jku/FCD
github
similar
stan-his/DeepFMPO
github
similar
connorcoley/retrosim
github
similar
jrwnter/mso
github
similar
undeadpixel/reinvent-scaffold-decorator
github
similar
pfnet-research/graph-nvp
github
similar
MolecularAI/deep-molecular-optimization
github
similar
PatWalters/rd_filters
github
similar
XinhaoLi74/SmilesPE
github
similar
BenevolentAI/guacamol_baselines
github
similar
coleygroup/molpal
github
similar
connorcoley/rdchiral
github
similar
microsoft/molecule-generation
github
similar
DrrDom/crem
github
similar
UCLCheminformatics/ScaffoldGraph
github
similar
jensengroup/propka
github
similar
Mishima-syk/py4chemoinformatics
github
similar
samoturk/mol2vec
github
similar
MarcusOlivecrona/REINVENT
github
similar
mordred-descriptor/mordred
github
similar
BenevolentAI/guacamol
github
similar
whitead/dmol-book
github
similar
bowenliu16/rl_graph_generation
github
similar
HeliXonProtein/OmegaFold
github
similar