mopac

There are 6 repositories under mopac topic.

lvpp/sigma
LVPP sigma-profile database + COSMO-SAC parametrizations
Language:Python58 11 2428
caraortizmah/BindingInteraction
Language:Shell2 1 03
QChem-pnk/public_GMCALC
Public version of GMCALC: software to make easy working with Gaussian and MOPAC
Language:Shell2 1 00
schneiderfelipe/marathon
Run sets of computational chemistry calculations in batch.
Language:Shell2 1 31
molssi-seamm/mopac_step
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
Language:Python1 1 33
ale94mleon/aleimi
Stochastic Conformation Analysis at semi empirical level with ab initio refinement
Language:Python0 1 00