mopac

Here are 5 public repositories matching this topic...

A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.

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

pipeline mhc protein-ligand-interactions gamess mopac

Run sets of computational chemistry calculations in batch.

chemistry nwchem gaussian batch adf orca mopac psi4

Stochastic Conformation Analysis at semi empirical level with ab initio refinement

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