larngroup / DTITRLinks
DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers
☆14Updated 2 years ago
Alternatives and similar repositories for DTITR
Users that are interested in DTITR are comparing it to the libraries listed below
Sorting:
- ☆28Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 6 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- ☆17Updated 3 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆17Updated last year
- ☆41Updated 8 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆65Updated last month
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆32Updated 2 years ago
- ☆25Updated last year
- ☆22Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated 11 months ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆11Updated 2 years ago
- Implementation for SuperWater☆35Updated last month
- ☆54Updated 8 months ago
- ☆52Updated 7 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- ☆40Updated 5 months ago
- MGA☆44Updated 4 years ago
- ☆55Updated last week
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆31Updated 3 months ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated 2 years ago
- ☆26Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- a multi-property optimization method.☆32Updated last year
- Fragment-based Molecular Expansion☆25Updated last year