2024-03-01

PAMREIN's daily Open Notebook (COMMONS Lab)

Todo - Check Github

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Meetings

None

Daily report (What did I learn?)

Which prog language is the best?
Does it depends on the usage or other stuff? Marco showed me today rust. It looks very easy to use and they have a lot of implemented tools, which are very useful. Like Julia, it can also work with other packages which increases the possibilties of the language. https://survey.stackoverflow.co/2023/

polars is a package for python. It is 30x faster than pandas for data wrangling and analysis. It is very useful for data science tasks like feature engineering, data cleaning, etc. Because the LOTUS dataset is very big, the table of polar has to be increased too. data = pl.read_csv(path_to_file, separator=",", infer_schema_length=1000000)

Pickaxe removes stereochemistry by default. Compounds (SMILES) -> reaction rules (SMARTS - based on JN1224min) -> compounds, reactions, reaction rules, and target molecules (Systems Biology Markup Language (SBML)).

Poetry #program (Private)

poetry show : shows all available packages in this environment

Future perspective

Keywords

Abbreviations