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Minor version of Sage line of force fields
Jupyter Notebook 1
Data generation and submission scripts for the QCArchive ecosystem.
Jupyter Notebook 36 6
Forked from pavankum/cp2k-vab
Feature additions to CP2K-6.1
Fortran
Forked from jthorton/double-exp-vdw
Experimental fits of a double expoential force field.
Python
Jupyter Notebook 4 2
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