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| Structure-based drug design with geometric deep learning | Oct 19, 2022 | Deep LearningDrug Design | —Unverified | 0 |
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| DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking | Oct 4, 2022 | Blind DockingDrug Design | CodeCode Available | 3 |
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| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | Sep 8, 2022 | 3D geometry3D Geometry Prediction | —Unverified | 0 |
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| 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 |
