larngroup / DTITR
DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers
☆12Updated last year
Alternatives and similar repositories for DTITR:
Users that are interested in DTITR are comparing it to the libraries listed below
- ☆27Updated 9 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- ☆18Updated last year
- few-shot compound activity regression☆13Updated 5 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆27Updated 7 months ago
- ☆15Updated 3 weeks ago
- ☆26Updated last year
- ☆23Updated 6 months ago
- ☆14Updated 2 years ago
- ☆18Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆24Updated 11 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆11Updated 2 months ago
- ☆22Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆23Updated last year
- ☆10Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆31Updated 3 months ago
- ☆30Updated 9 months ago
- ☆15Updated 3 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆9Updated 9 months ago
- ☆12Updated 2 years ago
- ☆56Updated 10 months ago
- ☆19Updated 4 months ago
- source code for deppHop☆33Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆28Updated last year
- ☆15Updated 3 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆16Updated 10 months ago
- DeepCDA☆12Updated 4 years ago
- ☆53Updated last year