2024-07-01

PAMREIN's daily Open Notebook (COMMONS Lab)

Todo - Check Github

-[]

Meetings

Daily report (What did I learn?)

  1. unique counts of columns
  • 10 files: total row = (241'488'958, 6) unique rows = 241'488'852 InChIKey and ID = 241'488'852 ID = 24'744'991 Type = 1 Generation = 1 Formula = 892'458 InChIKey = 216'477'652 SMILES = 216'481'182 Formula & InChIKey = 216'477'652 SMILES & InChIKey = 216'481'182 Formula & SMILES & InChIKey = 216'481'182
  • all files [2min 32s] total rows = shape(1'066'311'368, 6) ID = 25'095'950 Type = 1 Generation = 1 Formula = 1'905'057 InChIKey = 718'107'716 SMILES = 718'267'621 CPU times: user 25min 7s, sys: 4min 18s, total: 29min 26s Wall time: 29min 23s

Formula & SMILES & InChIKey =

Future perspective

Keywords

Abbreviations