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:
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- ☆81Updated 2 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆31Updated last year
- my own studied materials and scripts☆58Updated 2 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆40Updated 6 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆27Updated last year
- ☆97Updated last year
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆27Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆50Updated 3 weeks ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆42Updated last year
- Fragment-based Molecular Expansion☆27Updated last year
- ☆26Updated last year
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆30Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆43Updated 2 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- ☆58Updated 5 months ago
- ☆41Updated 5 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆58Updated 7 months ago
- ☆61Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆47Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- PoseX: A Molecular Docking Benchmark☆60Updated 6 months ago
- Antibody-Antigen Docking and Affinity Benchmark☆75Updated 5 years ago
- ☆32Updated 2 years ago