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
Related projects ⓘ
Alternatives and complementary repositories for DTi2Vec
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- Official Implementation of CompassDock☆14Updated last month
- ☆11Updated 5 months ago
- MEGADOCK on Google Colaboratory☆14Updated last year
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 3 years ago
- a method for CPI and DTA prediction☆9Updated 2 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆9Updated 2 years ago
- ☆20Updated 3 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆11Updated this week
- a protein descriptor for site prediction☆16Updated 5 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆30Updated 6 months ago
- Model to predict kinase-ligand pKi values.☆12Updated last year
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated last year
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆11Updated last year
- Dockerized Version of the DiffDock model from MIT☆12Updated last year
- My (small) research project in solubility of drug-like molecules☆18Updated 3 years ago
- ☆12Updated 3 years ago
- DeepCDA☆12Updated 4 years ago
- ☆14Updated 2 years ago
- ☆14Updated last month
- Mol2vec notebooks for use with Binder service☆29Updated 6 years ago
- Predict drug response with graph convolutional network.☆9Updated 3 years ago
- Kinome-wide structural pocket similarity☆10Updated last year
- Structural space exploration of AlphaFold DB☆12Updated 3 years ago
- ☆9Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- ☆24Updated 2 weeks ago
- ☆12Updated 4 months ago
- A program analyzing 3D protein structures from PDB to generate 2D binding motifs☆15Updated 3 years ago