Barabasi-Lab / AI-BindLinks
Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
☆39Updated 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☆45Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆74Updated last year
- ☆89Updated 7 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆24Updated 7 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆59Updated last year
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆42Updated 7 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆58Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 4 months ago
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆26Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated last month
- ☆41Updated last year
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆36Updated 6 months ago
- my own studied materials and scripts☆50Updated last month
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆86Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆45Updated 3 weeks ago
- Fragment-based Molecular Expansion☆20Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- ☆35Updated 2 months ago
- Official repository of GENzyme☆51Updated 6 months ago
- ☆40Updated last year
- ☆80Updated last year
- ☆32Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆28Updated 2 years ago