↪️ QM/MM interfacing in Python ↩️
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Feb 12, 2019 - Python
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oniom
Here are 4 public repositories matching this topic...
Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.
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May 12, 2024 - Python
Visualise Gaussian ONIOM inputs in VMD
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Aug 17, 2022 - Python
Program to extrapolate UV/Vis spectra from QM/QM excited state calculations
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Jun 30, 2020 - Perl
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