idrugLab / FG-BERTLinks
Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
☆29Updated last year
Alternatives and similar repositories for FG-BERT
Users that are interested in FG-BERT are comparing it to the libraries listed below
Sorting:
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- ☆68Updated 2 years ago
- MGA☆44Updated 4 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 3 years ago
- ☆20Updated 11 months ago
- ☆58Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆65Updated 4 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- ☆26Updated last year
- ☆12Updated 4 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- structure-based explanation methods☆28Updated last year
- a multi-property optimization method.☆32Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆52Updated 4 months ago
- ☆40Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆70Updated last year
- ☆15Updated 4 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆52Updated 2 years ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38Updated 6 months ago
- ☆10Updated 2 years ago
- ☆49Updated 2 years ago
- Accurate ADMET Prediction with XGBoost☆40Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Updated last year
- ☆11Updated last year
- Token-Mol 1.0：tokenized drug design with large language model☆57Updated this week
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆13Updated last year