fengyuewuya / EquiPocketLinks
☆26Updated 9 months ago
Alternatives and similar repositories for EquiPocket
Users that are interested in EquiPocket are comparing it to the libraries listed below
Sorting:
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Diffusion model based protein-ligand flexible docking method☆106Updated 8 months ago
- ☆32Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆78Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- ☆36Updated last month
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated last year
- ☆75Updated last year
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆37Updated 4 months ago
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- PoseX: A Molecular Docking Benchmark☆44Updated last week
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 7 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆60Updated last month
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆73Updated this week
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆34Updated 9 months ago
- ☆44Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 9 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated last month
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆25Updated 9 months ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆78Updated last year
- ☆91Updated 9 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated last week
- ☆62Updated last year
- ☆57Updated last year