Absolute solvation free energy calculations with OpenFF and OpenMM
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Dec 1, 2024 - Python
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openff
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Polymer-Oriented Library Yielding Structure Assignment, Calculation of CHARges, Interchange, and Data Elucidation
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Sep 18, 2023 - Python
TOFF (Topologies from OpenFF) is a python package to get topologies from the OpenFF initiative
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Apr 4, 2024 - Jupyter Notebook
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