Barabasi-Lab / AI-BindLinks
Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
☆40Updated last year
Alternatives and similar repositories for AI-Bind
Users that are interested in AI-Bind are comparing it to the libraries listed below
Sorting:
- ☆79Updated last year
- Diffusion model based protein-ligand flexible docking method☆115Updated last year
- my own studied materials and scripts☆58Updated 2 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆40Updated 6 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆50Updated last week
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆27Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆31Updated last year
- PoseX: A Molecular Docking Benchmark☆59Updated 5 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆96Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆27Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- ☆40Updated 5 months ago
- ☆41Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 2 months ago
- ☆73Updated 5 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆71Updated 9 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 5 months ago
- ☆70Updated last year
- ☆54Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Fragment-based Molecular Expansion☆25Updated last year
- Antibody-Antigen Docking and Affinity Benchmark☆75Updated 5 years ago
- ☆78Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆49Updated 2 years ago
- ☆88Updated last year