Chemistry | Material Science Transfer learning across different chemical domains: virtual screening of organic materials with deep learning models pretrained on small molecule and chemical reaction data. July 31, 2024
Bioinformatics | Drug design | Molecular Biology GAPS: a geometric attention-based network for peptide binding site identification by the transfer learning approach. July 11, 2024
Bioinformatics | Drug Discovery | Pharmacology PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization. June 30, 2024
Immunology | Vaccine Design APEX-pHLA: A novel method for accurate prediction of the binding between exogenous short peptides and HLA class I molecules. May 21, 2024
Other HighFold: accurately predicting structures of cyclic peptides and complexes with head-to-tail and disulfide bridge constraints. May 6, 2024
Bioinformatics | Drug Development | Pharmaceuticals Deep learning for advancing peptide drug development: Tools and methods in structure prediction and design. February 22, 2024
Bioinformatics | Computational Biology | Genomics NanoCon: Contrastive learning-based deep hybrid network for nanopore methylation detection. February 2, 2024
Chemical Biology | Medicinal Chemistry Multi_CycGT: A Deep Learning-Based Multimodal Model for Predicting the Membrane Permeability of Cyclic Peptides. January 25, 2024
Organic Chemistry | Pharmaceutical Chemistry Generation of novel Diels-Alder reactions using a generative adversarial network. December 12, 2022
Chemistry | Drug Discovery | Organic Chemistry Transformer-based multitask learning for reaction prediction under low-resource circumstances. November 16, 2022
Chemistry From theory to experiment: transformer-based generation enables rapid discovery of novel reactions. September 2, 2022