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Author:
Christian Nelle
License:
MIT License
Copyright (c) 2026 Christian Nelle, Arbeitsgruppe Prof. Sebastian Henke,
Fakultät für Chemie und Chemische Biologie, Technische Universität Dortmund
...
Summary:
Desktop GUI for building, launching, monitoring, and analysing ORCA quantum-chemistry calculations on SLURM clusters
Latest version:
1.4.1
Required dependencies:
matplotlib
|
numpy
|
openbabel-wheel
|
rdkit
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