KailiWang1 / DeepDTAFLinks
a deep learning architecture for protein-ligand binding affinity prediction
☆74Updated last year
Alternatives and similar repositories for DeepDTAF
Users that are interested in DeepDTAF are comparing it to the libraries listed below
Sorting:
- ☆86Updated 2 years ago
- A Python 3 version of the protein descriptor package propy☆42Updated 2 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 4 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ☆69Updated 4 years ago
- GraphSite: protein-DNA binding site prediction using graph transformer and predicted protein structures☆60Updated 11 months ago
- Geometric deep learning method to predict protein binding interfaces from a protein structure.☆134Updated last year
- ☆75Updated last year
- ☆52Updated 11 months ago
- Code of our JC paper: "Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted cont…☆73Updated 3 years ago
- ☆63Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆106Updated 8 months ago
- open source repository☆138Updated last year
- Transformer Based Language Model for Peptide Property Prediction☆47Updated 11 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆131Updated last week
- ☆49Updated last year
- Antibody-Antigen Docking and Affinity Benchmark☆72Updated 4 years ago
- ☆128Updated 3 weeks ago
- Biosynthesis Navigator for Natural Products☆48Updated 3 years ago
- pyFoldX: python bindings for FoldX.☆48Updated 3 years ago
- ☆25Updated 8 months ago
- Official repository for the Deep Docking protocol☆121Updated last year
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆37Updated 2 years ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated 9 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆92Updated 3 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- Graph Network for protein-protein interface☆120Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- PocketDTA☆30Updated 8 months ago