dmis-lab / PerceiverCPILinks
Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction
☆36Updated last year
Alternatives and similar repositories for PerceiverCPI
Users that are interested in PerceiverCPI are comparing it to the libraries listed below
Sorting:
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆43Updated 10 months ago
- ☆53Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆77Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆114Updated last year
- Atom-in-SMILES tokenizer for SMILES strings.☆39Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 3 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆71Updated 2 years ago
- MGA☆44Updated 4 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- ☆28Updated 3 years ago
- K-BERT for molecular property prediction.☆30Updated 3 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆48Updated 2 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆30Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- Antibody-Antigen Docking and Affinity Benchmark☆73Updated 4 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 8 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- ☆53Updated last year
- ☆38Updated 3 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆56Updated last month
- a multi-property optimization method.☆32Updated 9 months ago
- ☆36Updated 2 months ago
- ☆16Updated 3 years ago