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PyLAT: Python LAMMPS Analysis Tools by Humbert, Michael T, Zhang, Yong, Maginn, Edward J

“… Here we describe a suite of open-source Python-based postprocessing routines we have developed called PyLAT…”
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Pyteomics—a Python Framework for Exploratory Data Analysis and Rapid Software Prototyping in Proteomics by Goloborodko, Anton A., Levitsky, Lev I., Ivanov, Mark V., Gorshkov, Mikhail V.

“…Pyteomics is a cross-platform, open-source Python library providing a rich set of tools for MS-based proteomics…”
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stk: A python toolkit for supramolecular assembly by Turcani, Lukas, Berardo, Enrico, Jelfs, Kim E.

“… 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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MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials by Singh, Sobhit, Lang, Logan, Dovale-Farelo, Viviana, Herath, Uthpala, Tavadze, Pedram, Coudert, François-Xavier, Romero, Aldo H.

“…The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix (Cij…”
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scFates: a scalable python package for advanced pseudotime and bifurcation analysis from single-cell data by Faure, Louis, Soldatov, Ruslan, Kharchenko, Peter V, Adameyko, Igor

“…Abstract Summary scFates provides an extensive toolset for the analysis of dynamic trajectories comprising tree learning, feature association testing, branch differential expression and with a…”
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pyIAST: Ideal adsorbed solution theory (IAST) Python package by Simon, Cory M., Smit, Berend, Haranczyk, Maciej

“… We present an open-source, user-friendly Python package, pyIAST, to perform IAST calculations for an arbitrary number of components…”
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SciPy 1.0: fundamental algorithms for scientific computing in Python by Virtanen, Pauli, Gommers, Ralf, Oliphant, Travis E., Haberland, Matt, Reddy, Tyler, Cournapeau, David, Burovski, Evgeni, Peterson, Pearu, Weckesser, Warren, Bright, Jonathan, van der Walt, Stéfan J., Brett, Matthew, Wilson, Joshua, Millman, K. Jarrod, Mayorov, Nikolay, Nelson, Andrew R. J., Jones, Eric, Kern, Robert, Larson, Eric, Carey, C J, Polat, İlhan, Feng, Yu, Moore, Eric W., VanderPlas, Jake, Laxalde, Denis, Perktold, Josef, Cimrman, Robert, Henriksen, Ian, Quintero, E. A., Harris, Charles R., Archibald, Anne M., Ribeiro, Antônio H., Pedregosa, Fabian, van Mulbregt, Paul

“… 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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pyComBat, a Python tool for batch effects correction in high-throughput molecular data using empirical Bayes methods by Behdenna, Abdelkader, Colange, Maximilien, Haziza, Julien, Gema, Aryo, Appé, Guillaume, Azencott, Chloé-Agathe, Nordor, Akpéli

“… Results In this technical note, we present a new Python implementation of ComBat and ComBat-Seq…”
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Snakes on a Spaceship - An Overview of Python in Heliophysics by Burrell, A.G., Halford, A., Klenzing, J., Stoneback, R. A., Morley, S. K., Annex, A. M., Laundal, K. M., Kellerman, A. C., Stansby, D., Ma, J.

“…Computational analysis has become ubiquitous within the heliophysics community. However, community standards for peer review of codes and analysis have lagged behind these developments…”
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Tensorpac: An open-source Python toolbox for tensor-based phase-amplitude coupling measurement in electrophysiological brain signals by Combrisson, Etienne, Nest, Timothy, Brovelli, Andrea, Ince, Robin A. A., Soto, Juan L. P., Guillot, Aymeric, Jerbi, Karim

“… Current research in the field is not only hampered by the absence of a gold standard for PAC analysis, but also by the computational costs of running exhaustive computations on large and high…”
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Python-based reduced order quadrature building code for fast gravitational wave inference by Qi, Hong, Raymond, Vivien

“… We describe a Python-based reduced order quadrature building code, pyroq, which builds the reduced order quadrature data needed to accelerate parameter estimation of gravitational waves…”
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Micki: A python-based object-oriented microkinetic modeling code by Hermes, Eric D, Janes, Aurora N, Schmidt, J R

“… This Python-based code is modular and object oriented, framing the development of microkinetic models in familiar chemical terms…”
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MEG and EEG data analysis with MNE-Python by Gramfort, Alexandre

“… As part of the MNE software suite, MNE-Python is an open-source software package that addresses this challenge by providing state-of-the-art algorithms implemented in Python that cover multiple…”
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AMADAR: a python-based package for large scale prediction of Diels–Alder transition state geometries and IRC path analysis by Isamura, Bienfait K., Lobb, Kevin A.

“…Predicting transition state geometries is one of the most challenging tasks in computational chemistry, which often requires expert-based knowledge and permanent human intervention…”
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Python code smells detection using conventional machine learning models by Sandouka, Rana, Aljamaan, Hamoud

“… This article proposes a Python code smell dataset for Large Class and Long Method code smells…”
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Functional Python Programming: Use a functional approach to write succinct, expressive, and efficient Python code by Lott, Steven F

“…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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Methods and Benchmark for Detecting Cryptographic API Misuses in Python by Frantz, Miles, Xiao, Ya, Pias, Tanmoy Sarkar, Meng, Na, Yao, Danfeng

“… The current static code analysis tools for Python are unable to scan the increasing complexity of the source code…”
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Gnocis: An integrated system for interactive and reproducible analysis and modelling of cis-regulatory elements in Python 3 by Bredesen-Aa, Bjørn André, Rehmsmeier, Marc

“… methods for the genome-wide prediction of candidate CREs. We here present Gnocis, a Python package that streamlines the analysis and the modelling of CRE sequences…”
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Detecting Memory Errors in Python Native Code by Tracking Object Lifecycle with Reference Count by Ma, Xutong, Yan, Jiwei, Zhang, Hao, Yan, Jun, Zhang, Jian

“… To detect such problems, state-of-the-art approaches have made groundbreaking contributions to identifying inappropriate final refcount values before returning from native code to Python…”
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Short communication: age2exhume – a MATLAB/Python script to calculate steady-state vertical exhumation rates from thermochronometric ages and application to the Himalaya by van der Beek, Peter, Schildgen, Taylor F.

“… datasets in such models remains challenging. Here, we present age2exhume, a thermal model in the form of a MATLAB or Python script, which can be used to rapidly obtain…”
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