fengyuewuya / EquiPocket
☆24Updated 3 months ago
Alternatives and similar repositories for EquiPocket:
Users that are interested in EquiPocket are comparing it to the libraries listed below
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 2 weeks ago
- BioLiP2 database curation and web interface☆22Updated 2 weeks ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆30Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆73Updated 2 weeks ago
- ☆46Updated 3 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆51Updated last year
- Official repository of GENzyme☆40Updated 2 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆31Updated 3 months ago
- ☆33Updated 9 months ago
- Convert coarse-grained protein structure to all-atom model☆37Updated 7 months ago
- ☆55Updated last year
- ☆34Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆38Updated last year
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆54Updated last year
- Diffusion model based protein-ligand flexible docking method☆98Updated 3 months ago
- ☆32Updated last year
- ☆33Updated last year
- ☆29Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆40Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆24Updated last year
- ☆78Updated 11 months ago
- Fragment-based Molecular Expansion☆18Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆25Updated 2 months ago
- ☆66Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆38Updated 8 months ago
- ☆21Updated 2 months ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆30Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated last month
- ☆21Updated 7 months ago
- Official repository of EnzymeFlow☆74Updated last month