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1. crest crest Public

   Forked from crest-lab/crest

   Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package

   Fortran

2. PlotMS PlotMS Public

   Forked from qcxms/PlotMS

   Plot program for QCxMS spectrum plotting

   Fortran

3. QCxMS QCxMS Public

   Forked from qcxms/QCxMS

   Quantum mechanic mass spectrometry calculation program

   Fortran

4. xtb xtb Public

   Forked from grimme-lab/xtb

   Semiempirical Extended Tight-Binding Program Package

   Fortran

5. xtb_docs xtb_docs Public

   Forked from grimme-lab/xtb_docs

   Python

6. QCxMS2 QCxMS2 Public

   Forked from grimme-lab/QCxMS2

   Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration

   Fortran