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moleditpy_pmeff-plugin
hiroyokoyama. github. io > moleditpy_pmeff-plugin

PMEFF " Python Molecular Editor Force Field

14+ hour, 31+ min ago  (461+ words) A Moledit Py plugin that adds PMEFF, a self-contained universal molecular force field covering the entire periodic table (Z = 1 " 118). It needs no external QM binary " just numpy and rdkit. The classic force fields shipped with molecular editors are excellent for…...

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