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Multilayer Diffraction Reveals That Colloidal Superlattices Approach the Structural Perfection of Single Crystals

Stefano Toso, Dmitry Baranov, Davide Altamura, Francesco Scattarella, Jakob Dahl, Xingzhi Wang, Sergio Marras, Paul Alivisatos, Andrej Singer, Cinzia Giannini, Liberato Manna

Version 1 posted 19 October 2020

713

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2

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Theoretical and Computational Chemistry

Working Paper

autoDIAS: A Python Tool for an Automated Distortion/Interaction Activation Strain Analysis

Dennis Svatunek, Kendall N. Houk

Version 2 posted 21 May 2019

1,509

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Chemical Education

Working Paper

Customized Software Environment for Remote Learning: Providing Students a Specialized Learning Experience

Thomas Gerlach, Lukas Schauer, Michael Rademacher, Wolfgang Heiden, Karl Kirschner

Version 1 posted 07 April 2021

281

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Physical Chemistry

Working Paper

Circuit Analysis of Ionizing Surface Potential Measurements of Electrolyte Solutions

Tehseen Adel, Juan Velez-Alvarez, Anne C. Co, Heather Allen

Version 1 posted 25 September 2020

281

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Theoretical and Computational Chemistry

Working Paper

Complex Excited State Polarizabilities in the ADC/ISR Framework

Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn

Version 2 posted 14 May 2020

538

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Analytical Chemistry

Working Paper

PyC2MC: an open-source software solution for visualization and treatment of high-resolution mass spectrometry data

Maxime Sueur, Julien F. Maillard, Oscar Lacroix-Andrivet, Christopher Paul Rüger, Pierre Giusti, Hélène Lavanant, Carlos Afonso

Version 1 posted 17 November 2022

582

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1

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Theoretical and Computational Chemistry

Working Paper

TeachOpenCADD 2021: Open Source and FAIR Python Pipelines to Assist in Structural Bioinformatics and Cheminformatics Research

Dominique Sydow, Jaime Rodríguez-Guerra, Talia B. Kimber, David Schaller, Corey J. Taylor, Yonghui Chen, Mareike Leja, Sakshi Misra, Michele Wichmann, Armin Ariamajd, Andrea Volkamer

Version 1 posted 13 December 2021

707

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Theoretical and Computational Chemistry

Working Paper

KiSSim: Predicting off-targets from structural similarities in the kinome

Dominique Sydow, Eva Aßmann, Albert J. Kooistra, Friedrich Rippmann, Andrea Volkamer

Version 1 posted 16 December 2021

460

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Theoretical and Computational Chemistry

Working Paper

Implementation of Real-Time TDDFT for Periodic Systems in the Open-Source PySCF Software Package

Kota Hanasaki, Zulfikhar Ali, Min Choi, Mauro Del Ben, Bryan Wong

Version 1 posted 07 December 2022

258

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Materials Science

Working Paper

DBgen: A Python Library for Defining Scalable, Maintainable, Accessible, Reconfigurable, Transparent (SMART) Data Pipelines

Michael Statt, Kristopher Brown, Santosh Suram, Linda Hung, Daniel Schweigert, John Gregoire, Brian Rohr

Version 1 posted 30 July 2021

402

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42 results in Python in Keywords: Python

Multilayer Diffraction Reveals That Colloidal Superlattices Approach the Structural Perfection of Single Crystals

autoDIAS: A Python Tool for an Automated Distortion/Interaction Activation Strain Analysis

Customized Software Environment for Remote Learning: Providing Students a Specialized Learning Experience

Circuit Analysis of Ionizing Surface Potential Measurements of Electrolyte Solutions

Complex Excited State Polarizabilities in the ADC/ISR Framework

PyC2MC: an open-source software solution for visualization and treatment of high-resolution mass spectrometry data

TeachOpenCADD 2021: Open Source and FAIR Python Pipelines to Assist in Structural Bioinformatics and Cheminformatics Research

KiSSim: Predicting off-targets from structural similarities in the kinome

Implementation of Real-Time TDDFT for Periodic Systems in the Open-Source PySCF Software Package

DBgen: A Python Library for Defining Scalable, Maintainable, Accessible, Reconfigurable, Transparent (SMART) Data Pipelines

42 results in Keywords: Python