2024-01-05

This is Marco's daily open-notebook.

Today is 2024.01.05

Notes

Todo today

Doing

Done

Todo on Monday 2024.01.08

Restart implementation of query of Classyfire. To do so I need to:

  • look at test.py file. In the end I need only a list of the Inchi (max 1000 molecules per list ā†’\rightarrow from my dataframe, create chunks of 1000 molecules)
  • once I have my list I need to do this compound = "\\n".join(comp) to link them together.
  • Once they are linked I can use structure_query and get_results to get the results and then I'll use my self made filter_df function to get the results in a dataframe
  • the files created today (Friday 05.01.2024) (./data/molecules/classyfire/* should be deleted)