Projects in Awesome Lists tagged with drug-target-interactions
A curated list of projects in awesome lists tagged with drug-target-interactions .
https://github.com/kexinhuang12345/DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
bioinformatics covid19 ddi deep-learning drug-discovery drug-drug-interaction drug-property-prediction drug-repurposing drug-target-interaction drug-target-interactions dti-prediction ppi protein-function-prediction protein-protein-interaction qsar repurposing-drugs side-effects toolkit virtual-screening
Last synced: 03 Apr 2025
https://github.com/ml-jku/hyper-dti
HyperPCM: Robust task-conditioned modeling of drug-target interactions
deep-learning drug-discovery drug-target-interactions hypernetworks proteochemometrics pytorch
Last synced: 29 Apr 2025
https://github.com/n-szulc/fingernat
Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
bioinformatics bioinformatics-tool dna drug-target-interactions interactions ligand-complex ligand-receptor-interaction ligand-target molecular-interactions nucleic-acids rna rna-ligand-complexes scientific-computing structural-bioinformatics structural-interaction-fingerprint
Last synced: 11 Jan 2025
https://github.com/maastrichtu-ids/predict-drug-target
Using ESM2 protein embeddings and MolecularTransformer drug embeddings to train a linear classifier to predict potential drug-targets interactions
Last synced: 10 Apr 2025
https://github.com/dmyersturnbull/mandos
Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
activity binding chembl cheminformatics drug-target-interactions filter
Last synced: 21 Mar 2025
https://github.com/maxischuh/barlowdti
Accurate prediction of drug–target interactions in drug discovery.
drug-discovery drug-target-interactions machine-learning
Last synced: 22 Nov 2024
https://github.com/nyxflower/aprile-exp
This is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".
drug-target-interactions explainable-ai gene-gene gene-ontology gnn side-effects sparsity-optimization
Last synced: 11 Feb 2025
https://github.com/hasanulmukit/smiles2dta-demo
A Streamlit app for predicting drug-target binding affinity using a trained CNN model. Input SMILES strings and protein sequences for fast and accurate predictions.
bioinformatics cnn deep-learning drug-design drug-discovery drug-target-affinity drug-target-interactions machine-learning protein-sequence smiles streamlit
Last synced: 16 Apr 2025
https://github.com/cvigilv/simspread
De novo target prediction by chemical similarity-guided network-based inference
cheminformatics drug-discovery drug-target-interactions target-prediction
Last synced: 15 Mar 2025
https://github.com/dy1365/smiles2dta-demo
A Streamlit app for predicting drug-target binding affinity using a trained CNN model. Input SMILES strings and protein sequences for fast and accurate predictions.
bioinformatics cnn deep-learning drug-design drug-discovery drug-target-affinity drug-target-interactions machine-learning protein-sequence smiles streamlit
Last synced: 31 Mar 2025
