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.
Curated list of resources for data, science, and navigating life
Jun 25, 2021
Compendium of recent articles, resources, and blogs in the area of chemical science and drug discovery
Dec 28, 2022
List of resources and state-of-the-art for Material Informatics
May 21, 2021
Feb 23, 2023
Feb 23, 2023
Playthrough on using Auto3D.
Jan 16, 2023
Walkthrough on clustering molecules. This notebook is made using an eclectic collection of different walkthroughs and tutorials found on various blogs
Nov 20, 2022
Walkthrough about what are SMIRKS, and how they can be used for reaction filtering and molecule enumeration
Aug 31, 2022
Walkthrough about what are SMARTS and how they can be used for substructure filtering
Jan 10, 2022
Curated list of resources for data, science, and navigating life
Dec 5, 2021
Rdkit code snippets and recipes that I revisit now and again.
Oct 10, 2021
Curated list of resources for data, science, and navigating life
Sep 10, 2021
Pandas code snippets and recipes that I revisit now and again.
Jun 13, 2021
May 23, 2021
Walkthrough on reading, visualizing, manipulating molecules and their properties for Cheminformatics-related tasks
May 11, 2021