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conodipaola/kg4vasp

Stars
22
Rank 1,026,660 (Top 21 %)
Language
Fortran
License
GNU General Publi...
Created about 5 years ago
Updated almost 4 years ago

conodipaola/kg4vasp

conodipaola

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Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP

AI3SD_ML_solubility_challenge

Data analysis based on solubility of small organic molecules

Jupyter Notebook