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rquiroga7's Projects

google-scholar-parser icon google-scholar-parser

This GitHub repository features a Jupyter Notebook designed for web scraping Google Scholar search results. It automates the extraction of key details about scholarly papers and compiles them into a CSV file.

idock icon idock

idock is a multithreaded virtual screening tool for flexible ligand docking for computational drug discovery.

inc2prev icon inc2prev

Estimate incidence from ONS prevalence estimates

indice-pobreza-uba icon indice-pobreza-uba

Análisis y cálculo de tasas de pobreza en Argentina. Herramienta esencial para investigadores, políticos y ONGs.

lineageexplorer icon lineageexplorer

Estimate growth rate advantage of SARS-CoV2 variants of concern using multinomial fits and GISAID and COG-UK data

openbabel icon openbabel

Experimental version of Open Babel with novel .pdbt format. Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

pango-designation icon pango-designation

Repository for suggesting new lineages that should be added to the current scheme

rdpsovina icon rdpsovina

A fast docking tool with the random drift particle swarm optimization and based on the framework of AutoDock Vina and PSOVina

rf-score icon rf-score

A machine learning approach to predicting protein-ligand binding affinity.

sfsxplorer icon sfsxplorer

Computational tool to explore the scoring function space

sucos icon sucos

easily accessible script to calculate SuCOS scores for pairs of molecules.

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