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

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

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2. CODE-AE CODE-AE Public

   Coherent Deconfounding Autoencoder (CODE-AE) can extract both common biological signals shared by incoherent samples and private representations unique to each data set, transfer knowledge learned …

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3. DISAE DISAE Public

   MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphanization

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4. DeepREAL DeepREAL Public

   DeepREAL: A Deep Learning Powered Multi-scale Modeling Framework Towards Predicting Out-of-distribution Receptor Activity of Ligand Binding

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5. eMOSAIC eMOSAIC Public

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

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6. MolGNN_fewshot MolGNN_fewshot Public

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