A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
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Updated
Oct 24, 2026 - Python
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mopac
Here are 3 public repositories matching this topic...
Stochastic Conformation Analysis at semi empirical level with ab initio refinement
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Mar 30, 2026 - Python
QSPR models (MLR, PLS, SVR, kNN, decision tree) predicting organic pollutant sorption on polypropylene microplastics, with the full model-development history
python machine-learning cheminformatics scikit-learn padel chemometrics qsar qspr mopac microplastics
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Oct 5, 2026 - Python
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