Projects: pypi: atomate
https://packages.ecosyste.ms/registries/pypi.org/packages/atomate
atomate has implementations of FireWorks workflows for Materials Science
60 versions
Latest release: almost 3 years ago
955 downloads last month
Enhanced Analysis
Educational Contributors:
km468@cornell.edu
ongsp@eng.ucsd.edu
alireza@wustl.edu
b.wood@berkeley.edu
hat003@eng.ucsd.edu
dbroberg@berkeley.edu
michael.wolloch@univie.ac.at
zhz004@eng.ucsd.edu
ongsp@ucsd.edu
ihchu@eng.ucsd.edu
maxwelldylla2020@u.northwestern.edu
torrisi@g.harvard.edu
Repository Activity:
Repository Owner:
Hacking Materials Research Group (organization)
Academic
Science Score: 100/100
Starting Score: 100 points
Bonuses:
-
+240
Educational commit emails
12 contributors with educational email addresses -
+20
Academic repository owner
Repository owned by academic institution -
+15
Institutional repository owner
Repository owned by research institution
Penalties:
-
-10
PyPI ecosystem
General-purpose ecosystem
Very Likely Science (100)
Papers Mentioning atomate 5
10.1038/s41597-020-0407-9
An automatically curated first-principles database of ferroelectricsCited by: 33
Author(s): Tess Smidt, Stephanie Mack, Sebastian E. Reyes‐Lillo, Anubhav Jain, Jeffrey B. Neaton
Software Mentions: 5
Published: over 6 years ago
10.1038/s41597-020-0474-y
High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithmsCited by: 87
Author(s): Bing He, Shuting Chi, Anjiang Ye, Penghui Mi, Liwen Zhang, Bowei Pu, Zheyi Zou, Yunbing Ran, Qian Zhao, Da Wang, Wenqing Zhang, Jing‐Tai Zhao, Stefan Adams, Maxim Avdeev, Siqi Shi
Software Mentions: 5
Published: about 6 years ago
10.1038/s41597-021-00936-5
Database of ab initio L-edge X-ray absorption near edge structureCited by: 14
Author(s): Yiming Chen, Chi Chen, Zheng Chen, Shyam Dwaraknath, Matthew K. Horton, Jordi Cabana, J. J. Rehr, John Vinson, Alan Dozier, J. J. Kas, Kristin A. Persson, Shyue Ping Ong
Software Mentions: 5
Published: about 5 years ago
10.1002/advs.201900808
Data‐Driven Materials Science: Status, Challenges, and PerspectivesCited by: 304
Author(s): Lauri Himanen, Amber Geurts, Adam S. Foster, Patrick Rinke
Software Mentions: 3
Published: almost 7 years ago
10.1039/d1mh00017a
Metastable Ta<sub>2</sub>N<sub>3</sub> with highly tunable electrical conductivity <i>via</i> oxygen incorporationCited by: 5
Author(s): Chunsheng Jiang, Laura I. Wagner, Matthew K. Horton, Johanna Eichhorn, Tim Rieth, Viktoria F. Kunzelmann, Max Kraut, Yanbo Li, Kristin A. Persson, Ian D. Sharp
Software Mentions: 2
Published: over 5 years ago