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protein structure

59 papers

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Co-occurring keywords

graph neural network (3962) antibody design (15) protein language model (40) generative model (2892) molecular generation (78) equivariant neural network (75) drug discovery (119) diffusion model (3751) protein design (32) protein structure prediction (26)

Papers

Injecting Multimodal Information into Rigid Protein Docking via Bi-level Optimization NIPS 2023
Chemically Transferable Generative Backmapping of Coarse-Grained Proteins ICML 2023
PointListNet: Deep Learning on 3D Point Lists CVPR 2023
FFF: Fragment-Guided Flexible Fitting for Building Complete Protein Structures CVPR 2023
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model NIPS 2023
Full-Atom Protein Pocket Design via Iterative Refinement NIPS 2023
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials NIPS 2023
ProteinInvBench: Benchmarking Protein Inverse Folding on Diverse Tasks, Models, and Metrics NIPS 2023
Graph Denoising Diffusion for Inverse Protein Folding NIPS 2023
AbDiffuser: full-atom generation of in-vitro functioning antibodies NIPS 2023
Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction NIPS 2023
A Hierarchical Training Paradigm for Antibody Structure-sequence Co-design NIPS 2023
End-to-End Full-Atom Antibody Design ICML 2023
GLPocket: A Multi-Scale Representation Learning Approach for Protein Binding Site Prediction IJCAI 2023
Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures NIPS 2022
Learning inverse folding from millions of predicted structures ICML 2022
Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks NIPS 2022
Self-Supervised Pre-training for Protein Embeddings Using Tertiary Structures AAAI 2022
Contact-Distil: Boosting Low Homologous Protein Contact Map Prediction by Self-Supervised Distillation AAAI 2022
6DCNN with Roto-Translational Convolution Filters for Volumetric Data Processing AAAI 2022
CryoDRGN2: Ab Initio Neural Reconstruction of 3D Protein Structures From Real Cryo-EM Images ICCV 2021
Multi-Scale Representation Learning on Proteins NIPS 2021
Fast End-to-End Learning on Protein Surfaces CVPR 2021
Efficient Generative Modelling of Protein Structure Fragments using a Deep Markov Model ICML 2021
MSA Transformer ICML 2021