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gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support
Irrgang, M. Eric, Davis, Caroline, Kasson, Peter M.
Published in PLoS computational biology (01.02.2022)
Published in PLoS computational biology (01.02.2022)
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Journal Article
SciPy 1.0: fundamental algorithms for scientific computing in Python
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
Published in Nature methods (01.03.2020)
Published in Nature methods (01.03.2020)
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Journal Article
pyOpenMS: A Python-based interface to the OpenMS mass-spectrometry algorithm library
Röst, Hannes L., Schmitt, Uwe, Aebersold, Ruedi, Malmström, Lars
Published in Proteomics (Weinheim) (01.01.2014)
Published in Proteomics (Weinheim) (01.01.2014)
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Journal Article
Domain Knowledge Matters: Improving Prompts with Fix Templates for Repairing Python Type Errors
Peng, Yun, Gao, Shuzheng, Gao, Cuiyun, Huo, Yintong, Lyu, Michael R.
Published in Proceedings / International Conference on Software Engineering (14.04.2024)
Published in Proceedings / International Conference on Software Engineering (14.04.2024)
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Conference Proceeding
GSEApy: a comprehensive package for performing gene set enrichment analysis in Python
Fang, Zhuoqing, Liu, Xinyuan, Peltz, Gary
Published in Bioinformatics (Oxford, England) (01.01.2023)
Published in Bioinformatics (Oxford, England) (01.01.2023)
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Journal Article
MetPy: A Meteorological Python Library for Data Analysis and Visualization
May, Ryan M., Goebbert, Kevin H., Thielen, Jonathan E., Leeman, John R., Camron, M. Drew, Bruick, Zachary, Bruning, Eric C., Manser, Russell P., Arms, Sean C., Marsh, Patrick T.
Published in Bulletin of the American Meteorological Society (01.10.2022)
Published in Bulletin of the American Meteorological Society (01.10.2022)
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Journal Article
PyLog: An Algorithm-Centric Python-Based FPGA Programming and Synthesis Flow
Huang, Sitao, Wu, Kun, Jeong, Hyunmin, Wang, Chengyue, Chen, Deming, Hwu, Wen-Mei
Published in IEEE transactions on computers (01.12.2021)
Published in IEEE transactions on computers (01.12.2021)
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Journal Article