pyKVFinder: an efficient and integrable Python package for biomolecular cavity detection and characterization in data science.

João Victor da Silva GuerraHelder Veras Ribeiro-FilhoGabriel Ernesto JaraLeandro Oliveira BortotJosé Geraldo de Carvalho PereiraPaulo Sergio Lopes de Oliveira

Published in: BMC bioinformatics (2021)

We introduce an efficient, highly versatile and easily integrable software for detecting and characterizing biomolecular cavities in data science applications and automated protocols. pyKVFinder facilitates biostructural data analysis with scripting routines in the Python ecosystem and can be building blocks for data science and drug design applications.

Keyphrases

data analysis
public health
electronic health record
big data
machine learning
deep learning
high throughput
risk assessment
real time pcr
loop mediated isothermal amplification
drug induced