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vizchemoton Public

Visualization of the reaction networks from Chemoton, including networks, energies, molecular models and profiles, based in Bokeh

HTML 4BSD-3-Clause 0 0 0 Updated Aug 7, 2026

utilities Public

C++ 5BSD-3-Clause 4 3 1 Updated Jul 24, 2026

nevpt2 Public

QD-NEVPT2 program originally by Angeli, Cimiraglia and Malrieu with QCMaquis DMRG, Cholesky decomposition of integrals and OpenMOLCAS interface support. To be installed and run from OpenMolcas.

Fortran 8LGPL-2.1 5 0 0 Updated Jun 16, 2026

qcmaquis Public

Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

C++ 49BSD-3-Clause 19 23 0 Updated Apr 23, 2026

parrot Public

Python 2BSD-3-Clause 0 0 0 Updated Oct 20, 2025

chemoton Public

Python 66BSD-3-Clause 7 4 0 Updated Oct 9, 2025

kinetx Public

C++ 4BSD-3-Clause 0 0 0 Updated Oct 9, 2025

art Public

Python 6BSD-3-Clause 0 0 0 Updated Oct 9, 2025

swoose Public

C++ 15BSD-3-Clause 1 0 0 Updated Oct 9, 2025

puffin Public

Python 12BSD-3-Clause 1 1 0 Updated Oct 9, 2025

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