SUNCAT-Center/CatLearn: Version 0.6.2 (March 2020)

20200 citationsJournal Articlegreen Open Access

Authors

Paul Jennings · Acceleron Pharma (United States)

Martin Hangaard Hansen · Sunset Laboratory (United States)

José Antonio Garrido Torres · Stanford University

Jacob R. Boes · Stanford University

Philomena Schlexer · Bloorazma (Iran)

Raúl Alejandro Torres Flores

Andrew andrew · Stanford University

Abstract

Added module for site featurization and GA feature selection. Fixed ML-NEB compatibility issue with FHI-AIMS ase calculator. Compatibility updated for ASE 3.19.0 Compatibility updated for Pandas 0.24.0 Compatibility updated for Scikit-learn 0.22.0 Dropped support for python 2. Dropped support for python 3.5 Added testing for python 3.7 and 3.8

Topics & Keywords

Ideological and Political Education

Publication Details

Published in: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.3730593

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SUNCAT-Center/CatLearn: Version 0.6.2 (March 2020)

Authors

Abstract

Topics & Keywords

Publication Details