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Sr. Scientist @ Microsoft Quantum
LAMMPS input files to compute DH in water
3 1
A python tool to parse the output of indexamajig
Jupyter Notebook 3 1
Python code to parse a .cdxml file containing surface reactions
Jupyter Notebook 2 1
Forked from lab-cosmo/pamm
Tools for the Probabilistic Analysis of Molecular Motifs method
Fortran