GitHub topics: drug-repurposing

Repositories

IsrC11/MAYA

Module containing an script to perform a chemical multiverse integrating several molecular representations to generate multipe chemical spaces to provide a depper analysis of structure multiple activity relationships

Language: Python - Size: 15.3 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 8 - Forks: 1

open-prophetdb/prophetdb.org

A website for OpenProphetDB community.

Size: 16.5 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 0 - Forks: 1

debnathk/ADPy

ADPy: A Python Package for High-Throughput Molecular Docking using AutoDock Vina

Language: Python - Size: 442 KB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 0 - Forks: 0

Akmazad/Akmazad.github.io

Welcome to my Lab page

Language: JavaScript - Size: 59 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 0 - Forks: 0

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).

Size: 1.74 MB - Last synced at: 7 days ago - Pushed at: 14 days ago - Stars: 140 - Forks: 27

nf-core/diseasemodulediscovery

A pipeline for network-based disease module identification.

Language: Python - Size: 13.4 MB - Last synced at: 6 days ago - Pushed at: 7 days ago - Stars: 5 - Forks: 3

cthoyt/cthoyt.github.io

My personal website, served at https://cthoyt.com

Language: HTML - Size: 42.5 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 2 - Forks: 5

JRaviLab/jravilab.github.io

Janani Ravi's Research Group

Language: HTML - Size: 442 MB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 1 - Forks: 5

giannarelli-lab/Systems-immunology-based-drug-repurposing-framework-to-target-inflammation-in-atherosclerosis

Code used for data analysis of drug repurposing approach to target inflammation in atherosclerosis

Language: HTML - Size: 6.34 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 3 - Forks: 1

inoue0426/awesome-computational-biology

Awesome list of computational biology.

Size: 114 KB - Last synced at: 5 days ago - Pushed at: 10 months ago - Stars: 99 - Forks: 5

mqcomplab/bitbirch

BitBIRCH clustering algorithm

Language: Python - Size: 25.5 MB - Last synced at: 29 days ago - Pushed at: 29 days ago - Stars: 89 - Forks: 26

amatov/ClusterTrackTubuline

ClusterTrack software allowed for the first time comprehensive measurements of microtubule behavior, including during stages of depolymerization, for which there is no known molecular marker

Language: C++ - Size: 2.78 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0

drugst-one/plugin

Drugst.One is a plug-and-play solution to make your biomedical (web-)tool drug repurposing ready. With just three lines of code the plugin can be integrated into your website within a few minues of work.

Language: HTML - Size: 10.3 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 2

open-prophetdb/biomedgps-explainer

A comprehensive network medicine-based drug repurposing and visualization toolkit for biomedical research.

Language: Python - Size: 40.3 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 0

wenyang789/DRviaSPCN-application

Language: R - Size: 35.1 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0

xianglin226/Benchmarking-Single-Cell-Perturbation

Single-Cell (Perturbation) Model Library

Language: Python - Size: 18.4 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 64 - Forks: 4

open-prophetdb/biomedgps-data

Biomedical knowledge graph builder.

Language: Jupyter Notebook - Size: 138 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 6 - Forks: 2

JyotismoyKalita/DrugDetectClassify-IITG

A Drug Detection model and a Drug Classification model using Logistic Regression with molecular descriptors and fingerprints extracted from SMILES strings of the molecules. This project is a part of Summer Internship at IIT Guwahati

Language: Jupyter Notebook - Size: 170 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 2 - Forks: 0

drugst-one/backend

This is the backend service repository that makes Drugst.One work. Drugst.One is a plug-and-play solution to make your biomedical (web-)tool drug repurposing ready. With just three lines of code the plugin can be integrated into your website within a few minues of work.

Language: Python - Size: 24.4 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 2

pritampanda15/Drug-Designing

Drug Discovery Methods | Drug Designing Pipelines

Language: Jupyter Notebook - Size: 142 MB - Last synced at: 5 days ago - Pushed at: 10 months ago - Stars: 2 - Forks: 1

clreda/NORDic

Network-Oriented Repurposing of Drugs Python Package

Language: Jupyter Notebook - Size: 104 MB - Last synced at: 7 days ago - Pushed at: about 2 months ago - Stars: 8 - Forks: 3

kirmedvedev/DrugDomain

DrugDomain database

Language: Python - Size: 12.9 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 2 - Forks: 3

kexinhuang12345/DeepPurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

Language: Jupyter Notebook - Size: 14.5 MB - Last synced at: 2 months ago - Pushed at: about 1 year ago - Stars: 1,059 - Forks: 291

loucerac/drexml

(DRExM³L) Drug REpurposing using eXplainable Machine Learning and Mechanistic Models of signal transduction

Language: Python - Size: 81.7 MB - Last synced at: 10 days ago - Pushed at: 3 months ago - Stars: 11 - Forks: 0

alisonmitchell/Biomedical-Knowledge-Graph

Information extraction from unstructured text to build a knowledge graph using techniques from traditional NLP to pre-trained transformers and LLMs for NER and Linking, and Relation Extraction.

Language: Jupyter Notebook - Size: 26.3 MB - Last synced at: about 2 months ago - Pushed at: 9 months ago - Stars: 12 - Forks: 0

AstraZeneca/awesome-drug-pair-scoring

Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

Size: 1.47 MB - Last synced at: 10 days ago - Pushed at: about 3 years ago - Stars: 96 - Forks: 14

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.

Language: Jupyter Notebook - Size: 30.8 MB - Last synced at: about 1 month ago - Pushed at: almost 2 years ago - Stars: 269 - Forks: 68

mahsasheikh/DrugGen

DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback

Language: Python - Size: 76.2 KB - Last synced at: about 1 month ago - Pushed at: 3 months ago - Stars: 16 - Forks: 1

dhanyashri-g/long-covid-therapeutics

A project exploring G-protein-coupled receptors (GPCRs) as therapeutic targets for Long COVID using computational analysis and drug repurposing tools.

Size: 23.7 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 1 - Forks: 0

AngelRuizMoreno/ConcensusPharmacophore

Consensus pharmacophore for Drug Design

Language: Jupyter Notebook - Size: 4.33 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 9 - Forks: 4

ram-compbio/CANDO

Computational Analysis of Novel Drug Opportunities

Language: Python - Size: 12.1 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 36 - Forks: 11

hetio/hetionet

Hetionet: an integrative network of disease

Language: HTML - Size: 380 MB - Last synced at: 4 months ago - Pushed at: over 2 years ago - Stars: 285 - Forks: 69

dhimmel/indications

Processing high-throughput drug indication resources.

Language: HTML - Size: 42.2 MB - Last synced at: 2 months ago - Pushed at: over 9 years ago - Stars: 18 - Forks: 6

HySonLab/DrugPipe

Generative AI-assisted Drug Repurposing Pipeline

Language: Python - Size: 52.8 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 9 - Forks: 2

xzenglab/KG-MTL

Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"

Language: Python - Size: 120 MB - Last synced at: about 2 months ago - Pushed at: about 3 years ago - Stars: 28 - Forks: 9

NCMBianchi/DrugRepurposing Fork of carmenreep/DrugRepurposing

Automated drug repurposing pipeline for rare diseases – using Jupyter Notebook, Docker-compose, Flask, Monarch API, DGIdb API, RDkit, Node2vec, XGboost and Torch-geometric.

Language: Python - Size: 107 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 1

draeger-lab/R-DRUGS

Rationalized Discovery of Robust antiviral targets Using Genome-scale model Systems

Language: Jupyter Notebook - Size: 5.51 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 3 - Forks: 0

DrugBud-Suite/CADD_Vault

Language: HTML - Size: 17.7 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 43 - Forks: 5

open-prophetdb/biomedgps

A knowledge graph system with graph neural network for drug repurposing and disease mechanism.

Language: Rust - Size: 24.5 MB - Last synced at: 19 days ago - Pushed at: 20 days ago - Stars: 17 - Forks: 2

Haotian2020/PAR1_MRdrugtarget_Project

cleaned code for PAR1

Language: R - Size: 78.1 KB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 1 - Forks: 0

RECeSS-EU-Project/benchscofi

Package which contains implementations of published collaborative filtering-based algorithms for drug repurposing.

Language: Python - Size: 3.38 MB - Last synced at: 15 days ago - Pushed at: 6 months ago - Stars: 0 - Forks: 2

RECeSS-EU-Project/stanscofi

Package for STANdard drug Screening by COllaborative FIltering. Performs benchmarks against datasets and SotA algorithms, and implements training, validation and testing procedures.

Language: Python - Size: 19.2 MB - Last synced at: 7 days ago - Pushed at: 7 months ago - Stars: 1 - Forks: 1

RECeSS-EU-Project/JELI

Joint Embedding-classifier Learning for improved Interpretability (JELI)

Language: Python - Size: 44.9 KB - Last synced at: 5 months ago - Pushed at: 7 months ago - Stars: 2 - Forks: 0

RECeSS-EU-Project/benchmark-code

Code associated with "Comprehensive evaluation of collaborative filtering in drug repurposing"

Language: Python - Size: 138 KB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 2 - Forks: 0

merlinis12/Downstream-Analysis-of-RNA-Seq-Results

Downstream Analysis of RNA-Seq Results in R: GSEA, PPI Networks, and Biological Interpretation

Language: HTML - Size: 15.4 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0

dhimmel/clintrials

Cataloging pharmacotherapies in clinical trial from ClinicalTrials.gov

Language: Jupyter Notebook - Size: 90.6 MB - Last synced at: about 1 month ago - Pushed at: about 9 years ago - Stars: 27 - Forks: 6

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"

Language: Jupyter Notebook - Size: 46.5 MB - Last synced at: 5 months ago - Pushed at: almost 2 years ago - Stars: 13 - Forks: 2

Innoplexus-opensource/ontosight

Your AI Research Assistant

Size: 5.86 KB - Last synced at: 4 days ago - Pushed at: 7 months ago - Stars: 1 - Forks: 0

RECeSS-EU-Project/RECeSS-EU-Project.github.io

The RECeSS (Robust Explainable Controllable Standard for drug Screening) project is funded by a Marie Skłodowska-Curie Postdoctoral Fellowship 2022.

Language: HTML - Size: 18.8 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0

amatov/DyneinFunctionAnalysis

Language: MATLAB - Size: 2.45 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 0 - Forks: 0

HySonLab/BioMedKG

Multimodal Contrastive Representation Learning in Augmented Biomedical Knowledge Graphs

Language: Python - Size: 1.28 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 2 - Forks: 0

dhimmel/integrate

Scripts and resources to create Hetionet v1.0, a heterogeneous network for drug repurposing

Language: Jupyter Notebook - Size: 565 MB - Last synced at: 5 months ago - Pushed at: almost 8 years ago - Stars: 32 - Forks: 17

justog220/ia-drugrepurposing

This repo replicates the works from (https://doi.org/10.1038/s41746-024-01038-3) to analyze the potential of GAI in Drug Repurposing

Language: HTML - Size: 1.24 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0

saramasarone/enrich_omics

A python package to explore pathways, diseases and drugs associated to a list of targets (genes, proteins, etc)

Language: Python - Size: 3.19 MB - Last synced at: 4 months ago - Pushed at: 10 months ago - Stars: 19 - Forks: 0

pritampanda15/ML-Drug-Designing

Machine learning based Drug Designing

Language: Jupyter Notebook - Size: 215 MB - Last synced at: 5 days ago - Pushed at: 10 months ago - Stars: 0 - Forks: 1

EdH66/preclinical_Pose_estimation

pose-estimation for pre-clinical drug validation

Language: Jupyter Notebook - Size: 49.8 KB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0

hms-dbmi/dseqr

single-cell and bulk RNA-seq analyses from counts → pathways → drug candidates.

Language: R - Size: 36.9 MB - Last synced at: 5 months ago - Pushed at: 11 months ago - Stars: 20 - Forks: 4

RECeSS-EU-Project/drug-repurposing-datasets

Drug Repurposing Datasets for Collaborative Filtering Methods. Notebooks and code to generate datasets for collaborative filtering-based drug repurposing.

Language: Jupyter Notebook - Size: 190 KB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 2 - Forks: 0

leonardoLavagna/Bioinformatics 📦

Projects in Bioinformatics: from epidemiology to precision medicine

Language: Jupyter Notebook - Size: 9.6 MB - Last synced at: 5 days ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0

kthuang20/LINCS_repurposing

Predicting New Indications for Known Drugs Based on Similarity in Drug Signatures

Language: Jupyter Notebook - Size: 60.8 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 0 - Forks: 0

kehauser/Predicting-resistance-of-clinical-Abl-mutations-to-targeted-kinase-inhibitors-using-FEP

Data and analysis scripts used in Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations

Size: 6.04 MB - Last synced at: 3 days ago - Pushed at: over 7 years ago - Stars: 3 - Forks: 0

pwatrick/DrugRepurposingToolKit

Language: R - Size: 5.51 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 3 - Forks: 6

gnn4dr/DRKG

A knowledge graph and a set of tools for drug repurposing

Language: Jupyter Notebook - Size: 19.1 MB - Last synced at: about 1 year ago - Pushed at: over 3 years ago - Stars: 565 - Forks: 153

broadinstitute/lincs-cell-painting

Processed Cell Painting Data for the LINCS Drug Repurposing Project

Language: Jupyter Notebook - Size: 108 MB - Last synced at: about 1 year ago - Pushed at: about 3 years ago - Stars: 25 - Forks: 13

dlopezyse/Drug-Repurposing-using-KGE

💊 Drug repurposing using knowledge graph embeddings with a focus on vector-borne diseases

Language: HTML - Size: 405 MB - Last synced at: 6 months ago - Pushed at: over 1 year ago - Stars: 8 - Forks: 2

cansyl/DEEPScreen

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

Language: Python - Size: 266 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 107 - Forks: 40

CPU-DS/AD-KGE

我们的论文“基于知识图谱嵌入的阿尔茨海默病药物重定位研究”的代码。

Language: Jupyter Notebook - Size: 33.4 MB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

ZhuChaoY/RDKG-115

RDKG-115: Assisting Drug Repurposing and Discovery for Rare Diseases by Trimodal Knowledge Graph Embedding

Language: Python - Size: 256 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 2 - Forks: 0

babessell1/MADRID Fork of HelikarLab/COMO

Metabolic Drug Repurposing Pipeline

Language: Python - Size: 733 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 0

DEIB-GECO/NMTF-DrugRepositioning

Language: Jupyter Notebook - Size: 48.4 MB - Last synced at: 5 months ago - Pushed at: over 4 years ago - Stars: 12 - Forks: 2

krassowski/drug-disease-profile-matching

Multi-omics disease sub-type specific drug repositioning aided with expression signatures from ConnectivityMap

Language: Jupyter Notebook - Size: 6.86 MB - Last synced at: 5 months ago - Pushed at: over 5 years ago - Stars: 16 - Forks: 2

aminkhod/Drug-Target_Interaction_prediction

M.Sc-final-project

Language: Python - Size: 1.23 GB - Last synced at: over 1 year ago - Pushed at: over 5 years ago - Stars: 5 - Forks: 2

TangSoftwareLab/KiBA

An integrated drug-target bioactivity matrix across 52,498 chemical compounds and 467 kinase targets

Size: 11.7 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 1 - Forks: 0

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)

Language: Python - Size: 6.47 MB - Last synced at: over 1 year ago - Pushed at: almost 2 years ago - Stars: 13 - Forks: 2

RohanV01/Statistics-for-Drug-Discovery

This repository aims to demystify statistical concepts within the context of drug discovery with ML. It provides clear explanations and practical examples tailored to researchers and professionals in the field. From descriptive statistics to inferential methods, this resource will empower you to make data-driven decisions in drug development.

Language: Jupyter Notebook - Size: 9.77 KB - Last synced at: 6 months ago - Pushed at: almost 2 years ago - Stars: 2 - Forks: 0