moldis-group/qm9nmr moldis-group/qm9nmr

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  • Language SCSS
  • License
    MIT License
  • Created over 3 years ago
  • Updated about 3 years ago
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moldis-group/qm9nmr
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Repository Details

SI page for Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules

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