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drug

Here are 28 public repositories matching this topic...

gallo-marinero / mod

Fully working version

chemistry toxicology discovery drug computational qsar

Updated Nov 20, 2019
Python

nar-n / Tautomer-Generator-with-AMBIT

This script automates the generation of tautomers from a CSV file containing SMILES and MoleculeID columns. It utilises the open-source Java library "ambit-tautomers-2.0.0-SNAPSHOT" for tautomer generation.

design discovery prediction drug tautomers moelcule

Updated Feb 22, 2024
Python

MaastrichtU-IDS / openpredict-sparql-service

SPARQL service for OpenPredict, based on rdflib-endpoint

translator sparql disease drug federated-query

Updated May 31, 2021
Python

DrugPositive

leopheard / DrugPositive

Kodi / XMBC / Firestick video addon for the Drug Positive podcast

audio politics podcast addon kodi resistance drug positive osmc popular independent xmbc prpn

Updated Sep 19, 2019
Python

lakeparkXPA / side2vec

Word2vec using FDA FAERS data

word2vec heatmap drug gephi sideeffects faers

Updated May 26, 2023
Python

nunososorio / Pfalciparum-ReducedACT-Susceptibility

This repository contains data and code for our analysis of the genome of a Plasmodium falciparum strain with reduced susceptibility to Artemisinin-Based Combination Therapy (ACT) drugs. We performed whole-genome sequencing of the HSOG3 clinical isolate and compared it with a large dataset of global P. falciparum samples.

genomics genome surveillance gatk drug malaria therapy plasmodium plasmodium-falciparum malaria-control

Updated Dec 29, 2023
Python

Jon-Ting / covdrugsim

⚡ A package to automate quantum mechanical calculations and molecular dynamics simulations of drugs.

quantum-mechanics molecular-dynamics protein drug covalent kinase

Updated Oct 7, 2024
Python

SABS-Team3-2021 / SABS-Pharmokinetics-Project

User-friendly interface to explore the behaviour of a basic pharmokinetics model.

python drug kinetics

Updated Jan 11, 2022
Python

Aristides-19 / venezueladruglist

Lista de Medicamentos Esenciales y Comercializados en Venezuela en formato JSON.

python medicine web-scraping drug venezuela beautifulsoup4 medicamento scraping-python farmatodo

Updated Apr 9, 2024
Python

panagiwtap / db-sql-query-medicine

💡 SQL queries in a drug database, written in Python.

python sql database medicine drug

Updated Mar 15, 2022
Python

anuliketat / drug_launch_sequence

optimization drug pharma

Updated Jan 5, 2023
Python

Public-Health-Scotland / dose_instruction_parser

Parsing prescription dose instructions using Named Entity Recognition and rules

machine-learning natural-language-processing spacy named-entity-recognition public-health drug nhs scotland prescriptions dose-instructions prescribing

Updated Sep 6, 2024
Python

larngroup / One_Shot_Siamese_Net_Drug_Discovery

drug-discovery drug one-shot-learning siamese-neural-network drug-drug-interaction drug-target-interactions

Updated Jun 10, 2020
Python

lxdre118 / PharmaHub

A Comprehensive, Free, and Fast-Responsive Ligand-Based Drug Design Platform

drug-discovery drug drug-design

Updated May 26, 2024
Python

Delta4AI / OntoloViz

GUI for drug and phenotype ontology visualization

visualization gui bioinformatics discovery ontology mesh drug-discovery drug atc phenotype sunburst repurposing

Updated Sep 17, 2024
Python

DrReetuSharma / AI-Driven-De-Novo-Drug-Design

de novo drug design (joint project)

python docker machine-learning tensorflow numpy pandas pytorch drug

Updated Jun 19, 2024
Python

nrohani / ISCMF

ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction

machine-learning bioinformatics matrix-factorization feature-extraction classification drug-discovery drug-repurposing drug drugbank drugs similarity-measures drug-design manifold-learning link-prediction matrix-decompositions drug-similarity drug-drug-interaction drug-target-interactions iscmf

Updated Mar 3, 2021
Python

MolSSI / mmic_docking

Strategy MMIC for molecular docking

standards interoperability protein drug docking receptor ligand mmic mmschema molssi

Updated Jan 3, 2022
Python

MLlab4CS / DeepGLSTM

deep-learning pytorch drug

Updated Nov 12, 2022
Python

biothings / mychem.info

MyChem.info: A BioThings API for chemical/drug annotations

api webservice bioinformatics chemical drug biothings ncats-translator

Updated Nov 12, 2024
Python

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