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pmeff


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Author: Hiromichi Yokoyama
License: GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/> Everyone is permitted ...
Summary: PMEFF — a self-contained universal molecular force field (Z = 1..118), NumPy-only, with a dependency-free geometry optimizer.
Latest version: 1.5.2
Required dependencies: numpy
Optional dependencies: rdkit

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