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Percolation theory using Python
ISBN: 3031598997, 9783031598999, 3031599004, 9783031599002Published: Cham Springer 2024“… Readers will learn how to generate, analyze, and comprehend data and models, with detailed theoretical discussions complemented by accessible computer codes…”
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Decoding the JAK-STAT Axis in Colorectal Cancer with AI-HOPE-JAK-STAT: A Conversational Artificial Intelligence Approach to Clinical–Genomic Integration
ISSN: 2072-6694, 2072-6694Published: Switzerland MDPI AG 17.07.2025Published in Cancers (17.07.2025)“…: AI-HOPE-JAK-STAT combines large language models (LLMs), a natural language-to-code engine, and harmonized public CRC datasets from cBioPortal…”
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Journal Article -
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LiPydomics: A Python Package for Comprehensive Prediction of Lipid Collision Cross Sections and Retention Times and Analysis of Ion Mobility-Mass Spectrometry-Based Lipidomics Data
ISSN: 1520-6882Published: United States 17.11.2020Published in Analytical chemistry (Washington) (17.11.2020)“… Existing solutions for these data analysis challenges (i.e., multivariate statistics and lipid identification…”
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VULCAN: An Open-source, Validated Chemical Kinetics Python Code for Exoplanetary Atmospheres
ISSN: 0067-0049, 1538-4365Published: United States The American Astronomical Society 01.02.2017Published in The Astrophysical journal. Supplement series (01.02.2017)“…We present an open-source and validated chemical kinetics code for studying hot exoplanetary atmospheres, which we name VULCAN…”
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PHOTONAI—A Python API for rapid machine learning model development
ISSN: 1932-6203, 1932-6203Published: San Francisco Public Library of Science 21.07.2021Published in PloS one (21.07.2021)“…PHOTONAI is a high-level Python API designed to simplify and accelerate machine learning model development…”
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pyComBat, a Python tool for batch effects correction in high-throughput molecular data using empirical Bayes methods
ISSN: 1471-2105, 1471-2105Published: London BioMed Central 07.12.2023Published in BMC bioinformatics (07.12.2023)“… Results In this technical note, we present a new Python implementation of ComBat and ComBat-Seq…”
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stk: A python toolkit for supramolecular assembly
ISSN: 0192-8651, 1096-987X, 1096-987XPublished: Hoboken, USA John Wiley & Sons, Inc 05.09.2018Published in Journal of computational chemistry (05.09.2018)“… stk is a modular, extensible and open‐source Python library that provides a simple Python API and integration with third party computational codes…”
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SciPy 1.0: fundamental algorithms for scientific computing in Python
ISSN: 1548-7091, 1548-7105, 1548-7105Published: New York Nature Publishing Group US 01.03.2020Published in Nature methods (01.03.2020)“… Since its initial release in 2001, SciPy has become a de facto standard for leveraging scientific algorithms in Python, with over 600 unique code contributors, thousands of dependent packages…”
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GPAW: An open Python package for electronic structure calculations
ISSN: 1089-7690Published: United States 07.03.2024Published in The Journal of chemical physics (07.03.2024)“…We review the GPAW open-source Python package for electronic structure calculations…”
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Python code smells detection using conventional machine learning models
ISSN: 2376-5992, 2376-5992Published: United States PeerJ. Ltd 29.05.2023Published in PeerJ. Computer science (29.05.2023)“… This article proposes a Python code smell dataset for Large Class and Long Method code smells…”
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Methods and Benchmark for Detecting Cryptographic API Misuses in Python
ISSN: 0098-5589, 1939-3520Published: New York IEEE 01.05.2024Published in IEEE transactions on software engineering (01.05.2024)“… The current static code analysis tools for Python are unable to scan the increasing complexity of the source code…”
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Functional Python Programming: Use a functional approach to write succinct, expressive, and efficient Python code
Published: Packt Publishing 2022“…Python isn’t all about object-oriented programming. Discover a valuable way of thinking about code design through a function-first approach…”
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SBML2HYB: a Python interface for SBML compatible hybrid modeling
ISSN: 1367-4811, 1367-4803, 1367-4811Published: England Oxford University Press 01.01.2023Published in Bioinformatics (Oxford, England) (01.01.2023)“…Abstract Summary Here, we present sbml2hyb, an easy-to-use standalone Python tool that facilitates the conversion of existing mechanistic models of biological systems in Systems Biology Markup Language (SBML…”
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pyMBE: The Python-based molecule builder for ESPResSo
ISSN: 1089-7690Published: United States 14.07.2024Published in The Journal of chemical physics (14.07.2024)“…We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source software application to design custom coarse-grained (CG…”
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Bridging Python to Silicon: The SODA Toolchain
ISSN: 0272-1732, 1937-4143Published: Los Alamitos IEEE 01.09.2022Published in IEEE MICRO (01.09.2022)“…Systems performing scientific computing, data analysis, and machine learning tasks have a growing demand for application-specific accelerators that can provide high computational performance…”
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PyCG: Practical Call Graph Generation in Python
ISBN: 1665402962, 9781665402965ISSN: 1558-1225Published: IEEE 01.05.2021Published in Proceedings / International Conference on Software Engineering (01.05.2021)“… We propose a pragmatic, static approach for call graph generation in Python. We compute all assignment relations between program identifiers of functions, variables, classes, and modules through an inter-procedural analysis…”
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Conference Proceeding -
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Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries
ISSN: 1549-960XPublished: United States 10.02.2025Published in Journal of chemical information and modeling (10.02.2025)“…The screening of chemical libraries is an essential starting point in the drug discovery process. While some researchers desire a more thorough screening of…”
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ABrox—A user-friendly Python module for approximate Bayesian computation with a focus on model comparison
ISSN: 1932-6203, 1932-6203Published: United States Public Library of Science 08.03.2018Published in PloS one (08.03.2018)“…We give an overview of the basic principles of approximate Bayesian computation (ABC), a class of stochastic methods that enable flexible and likelihood-free…”
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Domain Knowledge Matters: Improving Prompts with Fix Templates for Repairing Python Type Errors
ISSN: 1558-1225Published: ACM 14.04.2024Published in Proceedings / International Conference on Software Engineering (14.04.2024)“…As a dynamic programming language, Python has become increasingly popular in recent years…”
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Cardio PyMEA: A user-friendly, open-source Python application for cardiomyocyte microelectrode array analysis
ISSN: 1932-6203, 1932-6203Published: United States Public Library of Science 26.05.2022Published in PloS one (26.05.2022)“…Open source analytical software for the analysis of electrophysiological cardiomyocyte data offers a variety of new functionalities to complement closed-source, proprietary tools…”
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