Omnis tempus datum
Every moment is a data point
Blog documenting the tinkerings and helpful tips I have accumulated in the area of data science and machine learning, with some flavor of chemical science sprinkled sporadically.
The posts are meant to be a reference for my future self or whoever wishes to start in the data science and ML space.
Posts
Resources list
Cheminformatics Literature and Resources
Material-informatics Literature and Resources
Fingerprints on fingertips
Classifying reactions using machine-learning
Cheminformatics basics - Clustering molecules
Cheminformatics basics - Why the SMIRKS?
Cheminformatics basics - A SMARTS way to filter molecules
On machine learning model interpretability
Rdkit quick tips
Model building checklist
Pandas cookbook
Exploratory Data Analysis on Behavioral Risk Factor Surveillance System (BRFSS) dataset
Cheminformatics basics - RDkit, regression models, similarity
Mateiral informatics sample project
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