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Proceedings of the 20th Python in Science Conference (SciPy 2021)

Meghann Agarwal, Chris Calloway, Dillon Niederhut, David Shupe

July 12 - July 18

Austin, Texas

Organizers | Sponsored Students

Articles

signac: Data Management and Workflows for Computational Researchers 1
Bradley D. Dice, Brandon L. Butler, Vyas Ramasubramani, Alyssa Travitz, Michael M. Henry, Hardik Ojha, Kelly L. Wang, Carl S. Adorf, Eric Jankowski, Sharon C. Glotzer

Accelerating Spectroscopic Data Processing Using Python and GPUs on NERSC Supercomputers 11
Daniel Margala, Laurie Stephey, Rollin Thomas, Stephen Bailey

MPI-parallel Molecular Dynamics Trajectory Analysis with the H5MD Format in the MDAnalysis Python Package 18
Edis Jakupovic, Oliver Beckstein

Natural Language Processing with Pandas DataFrames 27
Frederick Reiss, Bryan Cutler, Zachary Eichenberger

CLAIMED, a visual and scalable component library for Trusted AI 36
Romeo Kienzler, Ivan Nesic

PyCID: A Python Library for Causal Influence Diagrams 43
James Fox, Tom Everitt, Ryan Carey, Eric Langlois, Alessandro Abate, Michael Wooldridge

Social Media Analysis using Natural Language Processing Techniques 52
Jyotika Singh

PyBMRB: Data visualization tool for BioMagResBank 59
Kumaran Baskaran, Jonathan R Wedell, Eldon L. Ulrich, Jeffery C. Hoch, John L. Markley

Conformal Mappings with SymPy: Towards Python-driven Analytical Modeling in Physics 63
Zoufiné Lauer-Baré, Erich Gaertig

Programmatically Identifying Cognitive Biases Present in Software Development 72
Amanda E. Kraft, Matthew Widjaja, Trevor M. Sands, Brad J. Galego

How PDFrw and fillable forms improves throughput at a Covid-19 Vaccine Clinic 79
Haw-minn Lu, José Unpingco

PyRSB: Portable Performance on Multithreaded Sparse BLAS Operations 84
Michele Martone, Simone Bacchio

Classification of Diffuse Subcellular Morphologies 93
Neelima Pulagam, Marcus Hill, Mojtaba Fazli, Rachel Mattson, Meekail Zain, Andrew Durden, Frederick D Quinn, S Chakra Chennubhotla, Shannon P Quinn

Monitoring Scientific Python Usage on a Supercomputer 101
Rollin Thomas, Laurie Stephey, Annette Greiner, Brandon Cook

Training machine learning models faster with Dask 110
Joesph Holt, Scott Sievert

Multithreaded parallel Python through OpenMP support in Numba 118
Todd Anderson, Tim Mattson

CNN Based ToF Image Processing 126
Marian-Leontin Pop, Szilard Molnar, Alexandru Pop, Benjamin Kelenyi, Levente Tamas, Andrei Cozma

Cell Tracking in 3D using deep learning segmentations 132
Varun Kapoor, Claudia Carabaña