wzxxxx / Knowledge-based-BERTLinks
K-BERT for molecular property prediction.
☆30Updated 2 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☆43Updated 4 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆66Updated 2 years ago
- ☆51Updated 10 months ago
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆28Updated last year
- ☆10Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- structure-based explanation methods☆26Updated last year
- ☆37Updated last year
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated last year
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38Updated last month
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated 2 years ago
- ☆26Updated last year
- ☆60Updated last year
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆12Updated 3 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…☆67Updated last year
- ☆15Updated 3 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 2 years ago
- ☆12Updated 6 months ago
- ☆24Updated 2 years ago
- ☆17Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- ☆21Updated last year
- ☆16Updated 5 years ago
- ☆75Updated last year
- DeepCDA☆14Updated 5 years ago
- Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides☆14Updated 6 months ago