sodelab's repositories
SI_CO2Trimers
SI documentation for the journal article entitled, "Exploring the anharmonic vibrational structure of CO2 trimers."
github-tutorial
Set up for the MolSSi MM Tools Workshop
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openmm-ml
High level API for using machine learning models in OpenMM simulations
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SI_CO2Ar
SI documentation for the journal article entitled, "Theoretical investigation of the vibrational structure of the Ar-CO2 complex"
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SI_JCC25053
Sode and Cherry (2017) JCC supporting information
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