Pinned Loading

1. XieResearchGroup/Physics-aware-Multiplex-GNN XieResearchGroup/Physics-aware-Multiplex-GNN Public

   Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Reports)

   Python 72 23

2. MXMNet MXMNet Public

   Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures" (NeurIPS 2020 Workshop)

   Python 73 16

3. CPA CPA Public

   Source code for "Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation" (IJCAI 2020)

   Python 17 5

4. XieResearchGroup/eMOSAIC XieResearchGroup/eMOSAIC Public

   Source code for "Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology" (Nature Machine Intelligence)

   Python 5 1

5. ProMoNet ProMoNet Public

   Source code for "Sequence-based Drug-Target Complex Pre-training Enhances Protein-Ligand Binding Process Predictions Tackling Crypticity"

   Python 1 1

6. Lab-wiki-Gitbook Lab-wiki-Gitbook Public

   Wikipage of Dr. Lei Xie's lab at Hunter College, CUNY

   3