wzxxxx / Knowledge-based-BERTLinks
K-BERT for molecular property prediction.
☆31Updated 3 years ago
Alternatives and similar repositories for Knowledge-based-BERT
Users that are interested in Knowledge-based-BERT are comparing it to the libraries listed below
Sorting:
- MGA☆44Updated 4 years ago
- ☆67Updated 2 years ago
- ☆58Updated last year
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆29Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆10Updated 2 years ago
- ☆40Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- structure-based explanation methods☆28Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 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…☆76Updated 2 years ago
- a multi-property optimization method.☆33Updated 11 months ago
- ☆47Updated 2 years ago
- ☆12Updated 4 years ago
- ☆26Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆63Updated 3 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆15Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆116Updated last year
- ☆70Updated last year
- ☆20Updated 10 months ago
- ☆45Updated 2 years ago
- ☆51Updated 5 years ago
- ☆48Updated 2 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆44Updated 4 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 5 years ago
- ☆15Updated 4 years ago