dongoknam's Stars
AntonioLonga/PytorchGeometricTutorial
Pytorch Geometric Tutorials
AspirinCode/papers-for-molecular-design-using-DL
List of Molecular and Material design using Generative AI and Deep Learning
LirongWu/awesome-protein-representation-learning
Awesome Protein Representation Learning
kalininalab/alphafold_non_docker
AlphaFold2 non-docker setup
gozsari/Awesome-GNN-based-drug-discovery
This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.
sokrypton/af2bind
PaccMann/paccmann_proteomics
PaccMann models for protein language modeling
wukevin/proteinclip
Contrastive learning harmonizing protein language models and natural language models
xinformatics/alphafold
Open source code for AlphaFold to extract protein embeddings
zhiqiangzhongddu/Awesome-Knowledge-augmented-GML-for-Drug-Discovery
A collection of resources related with Knowledge-augmented Graph Machine Learning for Drug Discovery.
vtarasv/3d-prot-dta
3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs