Published June 1, 2024
| Version v2.0.0
Software
Open
PyBEST
Creators
- Behjou, Saman1
- Brzęk, Filip1
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Chakraborty, Rahul1
- Cieślak, Kacper2
- Dobrowolska, Antonina2
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Jahani, Seyedehdelaram1
- Karimi, Zahra1
- Kopczyński, Michał2
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Leszczyk, Aleksandra1
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Nowak, Artur1
- Sujkowski, Emil2
- Świerczyński, Julian2
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Szczuczko, Lena1
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Ahmadkhani, Somayeh1
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Boguslawski, Katharina1
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Kędziera, Dariusz3
- Kriebel, Maximilian1
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Tecmer, Paweł1
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Żuchowski, Piotr Szymon1
- 1. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń
- 2. Institute of Engineering and Technology, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń
- 3. Faculty of Chemistry, Nicolaus Copernicus University in Toruń
Contributors
Researcher:
- 1. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń
Description
PyBEST is a Pythonic Black-box Electronic Structure Tool, written primarily in the Python programming language with additional parts written in C++ and interfaced using pybind11.
Files
Files
(8.9 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:b11766b9701ab2bcace56bce56a3eb90
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8.9 MB | Download |
Additional details
Funding
- National Centre for Research and Development
- Small Grant Scheme Call NOR/SGS/ENDLESS-Mol/0091/2020-00
- EEA and Norway Grants
- European Research Council
- ERC STG 2022 101077420 DRESSED-pCCD
- National Science Centre
- OPUS 2019/33/B/ST4/02114
- National Science Centre
- SONATA BIS 2021/42/E/ST4/00302
Dates
- Created
-
2024-06-01
Software
- Repository URL
- https://pypi.org/project/pybest/
- Programming language
- Python, C++
- Development Status
- Active