2024-04-30

PAMREIN's daily Open Notebook (COMMONS Lab)

Todo - Check Github

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Meetings

Daily report (What did I learn?)

Pierre Marie tried to register for an account on BNICE.

We started againg mongodb and I had some problems. I had to change authorisation for some files. https://askubuntu.com/questions/823288/mongodb-loads-but-breaks-returning-status-14

how to recover git commited files:

1. clone the repo (so nothing bad can happen)
2. get the hash - commit file

git log -S cfm_id
git log --all --full-history -- <path_to_script>
git show <commit_hash>

3. recover it

git revert <commit_hash>

cfm is a module to transfer SMILES into a spectra file.

Future perspective

• different fraction 0.1, 0.2, 0.5
• save files as datawarior file
• script to calculate overlap between different datavases or different fractions with
• upset plot (optional)

Keywords

Abbreviations