drug-repurposing

There are 19 repositories under drug-repurposing topic.

kexinhuang12345 / DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
drug-repurposing deep-learning drug-target-interactions toolkit covid19 virtual-screening drug-discovery ppi ddi dti-prediction drug-property-prediction protein-function-prediction repurposing-drugs qsar side-effects drug-drug-interaction protein-protein-interaction drug-target-interaction bioinformatics
Language:Jupyter Notebook 909
DRKG
gnn4dr / DRKG
A knowledge graph and a set of tools for drug repurposing
dgl dgl-ke drug-repurposing graph-neural-networks knowledge-graph knowledge-graph-embeddings
Language:Jupyter Notebook 544
AngelRuizMoreno / Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
molecular-docking autodock autodock-vina ledock mdanalysis rdkit openbabel cheminformatics computational-biology jupyter-notebook py3dmol protein protein-structure drug-discovery drug-repurposing drug-design
Language:Jupyter Notebook 245
hetio / hetionet
Hetionet: an integrative network of disease
hetionet rephetio network neo4j hetnet drug-repurposing data-integration
Language:HTML 238
cansyl / DEEPScreen
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
drug-discovery drug-repurposing machine-learning deep-learning convolutional-neural-networks 2d-images-of-compounds drug-target-interactions prediction-model bioinformatics cheminformatics hyper-parameter-optimization performance-evaluation command-line-tool
Language:Python 107
awesome-drug-pair-scoring
AstraZeneca / awesome-drug-pair-scoring
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
ddi drug-synergy synergy-prediction deep-chemistry chemistry polypharmacy deep-learning machine-learning relational-learning drug-combination drug-drug-interaction drug-repurposing drug-design drug-target-interactions drug gcn gnn knowledge-graph graph-neural-network decagon
86
virtualramblas / awesome-deep-learning-4-life-sciences
A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).
biotech cheminformatics deeplearning drug-discovery drug-repurposing molecules pharmaceuticals proteins python
85
inoue0426 / awesome-computational-biology
Awesome list of computational biology.
awesome awesome-list computational-biology drug-discovery drug-repurposing machine-learning
53
ram-compbio / CANDO
Computational Analysis of Novel Drug Opportunities
drug-discovery drug-repurposing drug-design multitarget shotgun python bioinformatics biomedical-informatics machine-learning docking
Language:Python 33
bio-ontology-research-group / multi-drug-embedding
Method for drug repurposing from knowledge graphs and literature
drug-repurposing drug-target-prioritization knowledge-graph ontology semantic-web
Language:Python 32
zch42 / BiFusion
bioinformatics deep-learning drug-discovery drug-repurposing graph-neural-networks link-prediction multimodal-deep-learning pytorch
Language:Python 31
dhimmel / integrate
Scripts and resources to create Hetionet v1.0, a heterogeneous network for drug repurposing
rephetio neo4j data-integration network hetnet drug-repurposing hetionet
Language:Jupyter Notebook 29
xzenglab / KG-MTL
Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"
drug-discovery drug-repurposing graph-neural-networks knowledge-graph
Language:Python 25
dhimmel / clintrials
Cataloging pharmacotherapies in clinical trial from ClinicalTrials.gov
clinical-trials gov drug disease indications rephetio drug-repurposing
Language:Jupyter Notebook 24
broadinstitute / lincs-cell-painting
Processed Cell Painting Data for the LINCS Drug Repurposing Project
cell-morphology cell-painting data-repository drug-repurposing lincs
Language:Jupyter Notebook 23
Barabasi-Lab / COVID-19
Supplementary code for the paper: Network Medicine Framework for Identifying Drug Repurposing Opportunities for COVID-19
drug-repurposing network-analysis network-medicine
Language:Python 22
hms-dbmi / dseqr
single-cell and bulk RNA-seq analyses from counts → pathways → drug candidates.
single-cell-rna-seq rna-seq drug-repurposing bulk-rna-seq
Language:R 17
saramasarone / enrich_omics
A python package to explore pathways, diseases and drugs associated to a list of targets (genes, proteins, etc)
omics enrichment enrichment-analysis genomics proteomics drug-discovery drug-repurposing transcriptomics omics-data targets enrichr opentargets
Language:Python 16
dhimmel / indications
Processing high-throughput drug indication resources.
rephetio pharmacotherapydb indications drug-repurposing medicine
Language:HTML 15
drug-disease-profile-matching
krassowski / drug-disease-profile-matching
Multi-omics disease sub-type specific drug repositioning aided with expression signatures from ConnectivityMap
drug-discovery drug-repurposing stratification multi-omics lincs gct l1000
Language:Jupyter Notebook 15
eugenebang / DREAMwalk
The official code implementation for DREAMwalk in Python.
drug-repurposing random-walk
Language:Python 13
HySonLab / drug-interactions
Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)
drug-repurposing graph-neural-networks molecular-fingerprints variational-autoencoder
Language:Python 13
yazdanimehdi / DeepDrugDomain
DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.
bioinformatics drug-discovery drug-repurposing drug-target-affinity drug-target-interactions
Language:Python 13
DEIB-GECO / NMTF-DrugRepositioning
nmtf non-negative-matrix-factorization drug-repurposing sphericalclustering drug-targets
Language:Jupyter Notebook 12
francescopatane96 / Computer_aided_drug_discovery_kit
This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.
chemoinformatics pharmacoinformatics biotechnology cancer-research chemical-descriptors computational-drug-discovery descriptors drug-discovery drug-repurposing fingerprints machine-learning padel randomforestclassifier padel-descriptors
Language:Jupyter Notebook 12
MahaThafar / DTi2Vec
This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble learning
machine-learning boosting-ensemble node2vec-embeddings cheminformatics drug-repurposing
Language:Python 12
ShirleyWISiu / LigTMap
LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.
computational-chemistry computer-aided-drug-design drug-discovery drug-repurposing target-prediction protein-ligand-docking
Language:Python 12
deep-purpose-tutorial
ssiddhantsharma / deep-purpose-tutorial
Repository for the HackBio'2021 Internship for Team Drug-Development-A
drug-discovery bioinformatics toolkit deep-learning drug-repurposing drug-design drug-target-interactions drug-drug-interaction drug-targets cheminformatics tutorial
Language:Jupyter Notebook 11
Fraunhofer-ITMP / Pharmaceutical-patent-landscaping
Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug discovery perspective"
drug-discovery drug-repurposing patent-landscape target-importance
Language:Jupyter Notebook 9
open-prophetdb / biomedgps
A knowledge graph system with graph neural network for drug repurposing and disease mechanism.
disease-mechanisms disease-prediction drug-discovery drug-repurposing graph-embedding graph-neural-network knowledge-graph
Language:Rust 9
ps4dr / ps4dr
Pathway Signatures for Drug Repositioning and Discovery
drug-repurposing pathways bioinformatics workflow drug-discovery multi-modal-data
Language:HTML 8
cbalbin-bio / Epitopedia
Epitopedia: identifying molecular mimicry of known immune epitopes
bioinformatics computational-biology structural-biology molecular-mimicry epitopes iedb pdb drug-repurposing
Language:JavaScript 6
clreda / NORDic
Network-Oriented Repurposing of Drugs Python Package
bandit-algorithm boolean-network drug-repurposing gene-regulatory-network gene-regulatory-network-inference drug-simulation
Language:Jupyter Notebook 6
dlopezyse / Drug-Repurposing-using-KGE
Drug repurposing using knowledge graph embeddings with a focus on vector-borne diseases
biotechnology data-science drug-repurposing health knowledge-graph machine-learning
Language:HTML 6
gambalab / DREEP
Drug Response Estimation from single-cell Expression Profiles
drug-repurposing drug-resistance drug-response-prediction single-cell-rna-seq gf-icf
Language:C++ 6
nrohani / ISCMF
ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction
drugs iscmf drug-discovery drug-drug-interaction drugbank similarity-measures matrix-factorization manifold-learning drug-repurposing drug drug-target-interactions drug-design bioinformatics machine-learning matrix-decompositions link-prediction classification drug-similarity feature-extraction
Language:Python 6

drug-repurposing

kexinhuang12345 / DeepPurpose

gnn4dr / DRKG

AngelRuizMoreno / Jupyter_Dock

hetio / hetionet

cansyl / DEEPScreen

AstraZeneca / awesome-drug-pair-scoring

virtualramblas / awesome-deep-learning-4-life-sciences

inoue0426 / awesome-computational-biology

ram-compbio / CANDO

bio-ontology-research-group / multi-drug-embedding

zch42 / BiFusion

dhimmel / integrate

xzenglab / KG-MTL

dhimmel / clintrials

broadinstitute / lincs-cell-painting

Barabasi-Lab / COVID-19

hms-dbmi / dseqr

saramasarone / enrich_omics

dhimmel / indications

krassowski / drug-disease-profile-matching

eugenebang / DREAMwalk

HySonLab / drug-interactions

yazdanimehdi / DeepDrugDomain

DEIB-GECO / NMTF-DrugRepositioning

francescopatane96 / Computer_aided_drug_discovery_kit

MahaThafar / DTi2Vec

ShirleyWISiu / LigTMap

ssiddhantsharma / deep-purpose-tutorial

Fraunhofer-ITMP / Pharmaceutical-patent-landscaping

open-prophetdb / biomedgps

ps4dr / ps4dr

cbalbin-bio / Epitopedia

clreda / NORDic

dlopezyse / Drug-Repurposing-using-KGE

gambalab / DREEP

nrohani / ISCMF