Published June 1, 2025 | Version v2.1.0
Software Open

PyBEST

Creators

  • 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
  • 4. Faculty of Chemistry, 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 nanobind.

 

Files

Files (9.4 MB)

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md5:76c2f78d6c16868c7354d1be9da85e5f
9.4 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

References