A collection of papers studying bioinformatics using Deep Learning.
Please feel free to submit a pull request if you want to add good papers.
- Stanford CS-279 Computational Biology: Structure and Organization of Biomolecules and Cells [Website]
- GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation [Paper]
- Torsional Diffusion for Molecular Conformer Generation [Paper]
- Score-based Generative Models for Calorimeter Shower Simulation [Paper]
- Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models [Paper]
- A Score-based Geometric Model for Molecular Dynamics Simulations [Paper]
- Equivariant Diffusion for Molecule Generation in 3D [Paper]
- GNINA 1.0: molecular docking with deep learning [Paper]
- InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein−Ligand Interaction Predictions [Paper]
- AI-Bind: Improving Binding Predictions for Novel Protein Targets and Ligands [Paper]
- Interpretable Drug Target Prediction Using Deep Neural Representation [Paper]
- Predicting drug–protein interaction using quasi-visual question answering system [Paper]
- DEEP LEARNING MODEL FOR FLEXIBLE AND EFFICIENT PROTEIN-LIGAND DOCKING [Paper]
- INDEPENDENT SE(3)-EQUIVARIANT MODELS FOR END-TO-END RIGID PROTEIN DOCKING [Paper]
- EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction [Paper]
- TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction [Paper]