badw/SMILESBOX badw/SMILESBOX

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    3
  • Rank 3,958,649 (Top 79 %)
  • Language
    Python
  • Created over 1 year ago
  • Updated 10 months ago
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badw/SMILESBOX
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Repository Details

generate molecules from smiles and save to .xyz, .cif, or .vasp (POSCAR) files to use in calculations

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