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| Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction | Nov 27, 2022 | Deep Reinforcement LearningProtein Folding | CodeCode Available | 0 |
| Galactica: A Large Language Model for Science | Nov 16, 2022 | AnachronismsBias Detection | CodeCode Available | 4 |
| An Efficient MCMC Approach to Energy Function Optimization in Protein Structure Prediction | Nov 6, 2022 | CPUDrug Design | CodeCode Available | 0 |
| Geometry-Complete Perceptron Networks for 3D Molecular Graphs | Nov 4, 2022 | Graph Neural NetworkGraph Representation Learning | CodeCode Available | 1 |
| E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking | Oct 12, 2022 | Drug DiscoveryProtein Structure Prediction | —Unverified | 0 |
| State-specific protein-ligand complex structure prediction with a multi-scale deep generative model | Sep 30, 2022 | BenchmarkingBlind Docking | CodeCode Available | 2 |
| A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps | Sep 30, 2022 | Graph Neural NetworkProtein Structure Prediction | CodeCode Available | 1 |
| Protein structure generation via folding diffusion | Sep 30, 2022 | DenoisingProtein Structure Prediction | CodeCode Available | 2 |
