CSUBioGroup / BACPILinks
A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
☆32Updated 2 years ago
Alternatives and similar repositories for BACPI
Users that are interested in BACPI are comparing it to the libraries listed below
Sorting:
- MGA☆44Updated 4 years ago
- ☆10Updated 2 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆46Updated 2 months ago
- ☆52Updated last year
- 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
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- ☆55Updated last year
- ☆45Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆57Updated 2 months ago
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆77Updated last year
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Updated last year
- ☆26Updated last year
- ☆53Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆116Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆39Updated last year
- ☆62Updated 2 years ago
- DeepCDA☆15Updated 5 years ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆43Updated 11 months ago
- ☆12Updated 4 years ago
- ☆37Updated 2 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year