| Learning Subpocket Prototypes for Generalizable Structure-based Drug Design | May 22, 2023 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
| O-GNN: Incorporating Ring Priors into Molecular Modeling | May 1, 2023 | Drug DesignGraph Regression | CodeCode Available | 1 |
| Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified Model | Mar 13, 2023 | Drug DesignRepresentation Learning | CodeCode Available | 1 |
| Domain-Agnostic Molecular Generation with Chemical Feedback | Jan 26, 2023 | Drug DesignLanguage Modeling | CodeCode Available | 1 |
| Protein Language Models and Structure Prediction: Connection and Progression | Nov 30, 2022 | Drug DesignLanguage Modelling | CodeCode Available | 1 |
| Reinforced Genetic Algorithm for Structure-based Drug Design | Nov 28, 2022 | Combinatorial OptimizationDrug Design | CodeCode Available | 1 |
| Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design | Oct 6, 2022 | Drug Designvalid | CodeCode Available | 1 |
| Exploiting Pretrained Biochemical Language Models for Targeted Drug Design | Sep 2, 2022 | Drug Design | CodeCode Available | 1 |
| Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design | Aug 30, 2022 | DecoderDrug Design | CodeCode Available | 1 |
| HiGNN: Hierarchical Informative Graph Neural Networks for Molecular Property Prediction Equipped with Feature-Wise Attention | Aug 30, 2022 | Drug DesignDrug Discovery | CodeCode Available | 1 |
