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
- ☆67Updated 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 2 years ago
- ☆58Updated last year
- a multi-property optimization method.☆33Updated 11 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…☆77Updated 2 years ago
- ☆20Updated 11 months ago
- ☆26Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- structure-based explanation methods☆28Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- ☆15Updated 4 years ago
- ☆70Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 4 months ago
- ☆46Updated 2 years ago
- ☆49Updated 2 years ago
- Token-Mol 1.0:tokenized drug design with large language model☆57Updated last month
- ☆12Updated 4 years ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Updated last year
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆15Updated last year
- ☆79Updated last year
- Accurate ADMET Prediction with XGBoost☆40Updated 2 years ago
- ☆10Updated 2 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆52Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆11Updated last year
- 3D_Molecular_Generation☆100Updated last year