PyUNIxMD: A Python‐based excited state molecular dynamics package
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26711
Abstract: Theoretical/computational description of excited state molecular dynamics is nowadays a crucial tool for understanding light‐matter interactions in many materials. Here we present an open‐source Python‐based nonadiabatic molecular dynamics program package, namely PyUNIxMD, to deal with… read more here.
Keywords: excited state; molecular dynamics; chemistry; python based ... See more keywords
Evaluation of methods to reduce background using the Python-based ELISA_QC program.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of immunological methods"
DOI: 10.1016/j.jim.2018.02.013
Abstract: Almost all immunological approaches [immunohistochemistry, enzyme-linked immunosorbent assay (ELISA), Western blot], that are used to quantitate specific proteins have had to address high backgrounds due to non-specific reactivity. We report here for the first time… read more here.
Keywords: based elisa; elisa program; using python; python based ... See more keywords
pyEIT: A python based framework for Electrical Impedance Tomography
Sign Up to like & getrecommendations! Published in 2018 at "SoftwareX"
DOI: 10.1016/j.softx.2018.09.005
Abstract: Abstract We present a Python-based, open source Electrical Impedance Tomography (EIT) library called pyEIT. It is a multiplatform software released under the Apache License v2.0. pyEIT has a clean architecture and is well documented. It… read more here.
Keywords: python; impedance tomography; pyeit; python based ... See more keywords
ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00934
Abstract: We report the development of a python-based auxiliary-field quantum Monte Carlo (AFQMC) program, ipie, with preliminary timing benchmarks and new AFQMC results on the isomerization of [Cu2O2]2+. We demonstrate how implementations for both central and… read more here.
Keywords: python based; ipie; based auxiliary; auxiliary field ... See more keywords
PyFeat: a Python-based effective feature generation tool for DNA, RNA and protein sequences
Sign Up to like & getrecommendations! Published in 2019 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btz165
Abstract: MOTIVATION Extracting useful feature set which contains significant discriminatory information is a critical step in effectively presenting sequence data to predict structural, functional, interaction and expression of proteins, DNAs, and RNAs. Also, being able to… read more here.
Keywords: information; pyfeat; feature; python based ... See more keywords
KrakenOS: Python-based general exact ray tracing library
Sign Up to like & getrecommendations! Published in 2022 at "Optical Engineering"
DOI: 10.1117/1.oe.61.1.015101
Abstract: Abstract. Exact ray tracing is the fundamental tool of geometric optics, it constitutes the foundation on which aberration theory and, therefore, optical design is based. We present the KrakenOS, a Python library focused on the… read more here.
Keywords: exact ray; python based; ray; ray tracing ... See more keywords
Immunopeptidomics toolkit library (IPTK): a python-based modular toolbox for analyzing immunopeptidomics data
Sign Up to like & getrecommendations! Published in 2021 at "BMC Bioinformatics"
DOI: 10.1186/s12859-021-04315-0
Abstract: Background The human leukocyte antigen (HLA) proteins play a fundamental role in the adaptive immune system as they present peptides to T cells. Mass-spectrometry-based immunopeptidomics is a promising and powerful tool for characterizing the immunopeptidomic… read more here.
Keywords: toolkit library; immunopeptidomics toolkit; hla proteins; python based ... See more keywords
EyeVolve, a modular PYTHON based model for simulating developmental eye type diversification
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Cell and Developmental Biology"
DOI: 10.3389/fcell.2022.964746
Abstract: Vision is among the oldest and arguably most important sensory modalities for animals to interact with their external environment. Although many different eye types exist within the animal kingdom, mounting evidence indicates that the genetic… read more here.
Keywords: based model; eye; eye types; python based ... See more keywords
A Python-Based Pipeline for Preprocessing LC–MS Data for Untargeted Metabolomics Workflows
Sign Up to like & getrecommendations! Published in 2020 at "Metabolites"
DOI: 10.3390/metabo10100416
Abstract: Preprocessing data in a reproducible and robust way is one of the current challenges in untargeted metabolomics workflows. Data curation in liquid chromatography–mass spectrometry (LC–MS) involves the removal of biologically non-relevant features (retention time, m/z… read more here.
Keywords: pipeline preprocessing; metabolomics workflows; based pipeline; preprocessing data ... See more keywords