MahaThafar / DTi2Vec
This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble learning
☆12Updated 3 years ago
Alternatives and similar repositories for DTi2Vec:
Users that are interested in DTi2Vec are comparing it to the libraries listed below
- KDS software for Kinase Drug Selectivity☆11Updated last year
- MEGADOCK on Google Colaboratory☆16Updated last year
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- ☆12Updated 11 months ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Updated 4 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 4 years ago
- ☆13Updated 3 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆13Updated 4 months ago
- Python API for Pharmer☆12Updated 5 years ago
- ☆14Updated 2 years ago
- Predict drug response with graph convolutional network.☆9Updated 4 years ago
- a protein descriptor for site prediction☆16Updated 5 years ago
- ☆25Updated 3 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- ☆9Updated last year
- ☆12Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆12Updated last year
- Peptide Virtual Screening Pipeline☆9Updated 5 years ago
- ☆9Updated 3 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆9Updated 2 years ago
- ☆10Updated last year
- Model to predict kinase-ligand pKi values.☆12Updated last year
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- ☆15Updated 7 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- a method for CPI and DTA prediction☆11Updated 2 years ago