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.

### Resources list

### Small Molecules Resources

### Material-informatics Literature and Resources

### Fingerprints on fingertips

### Classifying reactions using machine-learning

### Auto3D to make optimize tautomers and 3D conformers

### 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

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