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1. xtb xtb Public

   Semiempirical Extended Tight-Binding Program Package

   Fortran 666 161

2. crest crest Public

   Forked from crest-lab/crest

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

   Fortran 35 1

3. dftd4 dftd4 Public

   Forked from dftd4/dftd4

   Generally Applicable Atomic-Charge Dependent London Dispersion Correction

   Fortran 19 4

4. CENSO CENSO Public

   CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

   Python 29 13

5. QCxMS2 QCxMS2 Public

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

   Fortran 14 5

6. MindlessGen MindlessGen Public

   Mindless molecule generator in a Python package.

   Python 24 4