Similar repositories to Xundrug/MolGpKa:
Xundrug/MolGpKa
github
similar
czodrowskilab/Machine-learning-meets-pKa
github
similar
Xundrug/AA-Score-Tool
github
similar
kimeguida/ProCare
github
similar
mms-fcul/PypKa
github
similar
yutxie/MARS
github
similar
microsoft/BioGPT
github
similar
UAMCAntwerpen/LEADD
github
similar
cimm-kzn/3D-MIL-QSAR
github
similar
Sulstice/global-chem
github
similar
jivankandel/PUResNet
github
similar
olsson-group/RL-GraphINVENT
github
similar
zchwang/DeepRMSD-Vina_Optimization
github
similar
PfizerRD/TorsionNet
github
similar
bigchem/retrosynthesis
github
similar
uibcdf/PyPharmer
github
similar
coleygroup/pyscreener
github
similar
chenxiaowei-vincent/XGraphBoost
github
similar
ifyoungnet/ADMETlab
github
similar
alexarnimueller/SMILES_generator
github
similar
jr-marchand/caviar
github
similar
KeenThera/fragment_generation
github
similar
frequencykg/BBB_calculator
github
similar
gnina/SolTranNet
github
similar
denoptim-project/DENOPTIM
github
similar
DGadaleta88/data_curation_workflow
github
similar
rnepal2/Solubility-Prediction-with-Graph-Neural-Networks
github
similar
deep-scaffold/deep_scaffold
github
similar
shaharharel/CDN_Molecule
github
similar
melloddy/SparseChem
github
similar
cosconatilab/PyRMD
github
similar
NRGlab/FlexAID
github
similar
mahendra-awale/medchem_moves
github
similar
pnnl/darkchem
github
similar
kimandsharp/dockeye_multi
github
similar
jax-md/jax-md
github
similar
mathcom/COMA
github
similar
igashov/DiffLinker
github
similar
wzxxxx/MGA
github
similar
KeenThera/SECSE
github
similar