Similar repositories to ljmartin/sas_mol_surface:
ljmartin/sas_mol_surface
github
similar
jszopi/repESP
github
similar
moldyn/Clustering
github
similar
ritabratamaiti/Chem-Faiss
github
similar
MiaoLab20/gamd-openmm
github
similar
tbereau/auto_martini
github
similar
MinkaiXu/CGCF-ConfGen
github
similar
devalab/DeepPocket
github
similar
BALL-Project/ball
github
similar
OptiMaL-PSE-Lab/DeepDock
github
similar
AstraZeneca/awesome-drug-discovery-knowledge-graphs
github
similar
gnina/libmolgrid
github
similar
DeepGraphLearning/ConfGF
github
similar
Shen-Lab/DeepAffinity
github
similar
FreyrS/dMaSIF
github
similar
XuhanLiu/DrugEx
github
similar
masashitsubaki/CPI_prediction
github
similar
project-gemmi/gemmi
github
similar
masashitsubaki/QuantumDeepField_molecule
github
similar
nicola-decao/MolGAN
github
similar
drorlab/atom3d
github
similar
MarcusOlivecrona/REINVENT
github
similar
MolecularAI/Reinvent
github
similar
deepchem/DeepLearningLifeSciences
github
similar
PatWalters/practical_cheminformatics_tutorials
github
similar
MolecularAI/GraphINVENT
github
similar
gnina/gnina
github
similar
aspuru-guzik-group/chemical_vae
github
similar
a-r-j/graphein
github
similar
Mariewelt/OpenChem
github
similar
rasbt/biopandas
github
similar
atomistic-machine-learning/schnetpack
github
similar
graphdeeplearning/graphtransformer
github
similar
AntonioLonga/PytorchGeometricTutorial
github
similar
phlippe/uvadlc_notebooks
github
similar
dsgiitr/graph_nets
github
similar
chemprop/chemprop
github
similar
RosettaCommons/RoseTTAFold
github
similar
rdkit/rdkit
github
similar
bentrevett/pytorch-sentiment-analysis
github
similar