Projects: pypi: qmpy
https://packages.ecosyste.ms/registries/pypi.org/packages/qmpy
Suite of computational materials science tools
19 versions
Latest release: almost 6 years ago
111 downloads last month
Science Score: 75/100
Starting Score: 100 points
Bonuses:
Penalties:
-
-10
PyPI ecosystem
General-purpose ecosystem -
-15
No science keywords
No scientific terms found in keywords/classifiers
Very Likely Science (75)
Papers Mentioning qmpy 4
10.1039/d0sc01101k
Autonomous intelligent agents for accelerated materials discoveryCited by: 46
Author(s): Joseph H. Montoya, Kirsten T. Winther, Raul A. Flores, Thomas Bligaard, Jens Strabo Hummelshøj, Muratahan Aykol
Software Mentions: 8
Published: over 6 years ago
10.1038/s41597-020-00637-5
Materials Cloud, a platform for open computational scienceCited by: 149
Author(s): Leopold Talirz, Snehal Kumbhar, Elsa Passaro, Aliaksandr V. Yakutovich, V. Granata, Fernando Gargiulo, Marco Borelli, Martin Uhrin, Sebastiaan P. Huber, Spyros Zoupanos, Carl S. Adorf, Casper Welzel Andersen, Ole Schütt, Carlo A. Pignedoli, Daniele Passerone, Joost VandeVondele, T. C. Schulthess, Berend Smit, Giovanni Pizzi, Nicola Marzari
Software Mentions: 2
Published: almost 6 years ago
10.1107/S2052252520010088
Explainable machine learning for materials discovery: predicting the potentially formable Nd–Fe–B crystal structures and extracting the structure–stability relationshipCited by: 7
Author(s): Tien-Lam Pham, Duong-Nguyen Nguyen, Minh-Quyet Ha, Hiori Kino, Takashi Miyake, H. van Dam
Software Mentions: 2
Published: almost 6 years ago
10.1038/sdata.2017.153
High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskitesCited by: 215
Author(s): Antoine A. Emery, Chris Wolverton
Software Mentions: 1
Published: over 8 years ago