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mopac

Here are 3 public repositories matching this topic...

QChem-pnk / public_GMCALC

Public version of GMCALC: software to make easy working with Gaussian and MOPAC

gaussian quantum-computing quantum-chemistry mopac

Updated Nov 19, 2020
Shell

schneiderfelipe / marathon

Run sets of computational chemistry calculations in batch.

chemistry nwchem gaussian batch adf orca mopac psi4

Updated Feb 28, 2019
Shell

caraortizmah / BindingInteraction

pipeline mhc protein-ligand-interactions gamess mopac

Updated May 13, 2021
Shell

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