Pat Walters @wpwalters.bsky.social · 22/07/2025New Practical Cheminformatics Post patwalters.github.io/Three-Papers... 0189
Pat Walters @wpwalters.bsky.social · 13/05/2025New Practical Cheminformatics Post, "Useful RDKit Utils - A Mötley Collection of Helpful Routines" patwalters.github.io/Useful-RDKit... 071
Pat Walters @wpwalters.bsky.social · 24/03/2025The latest addition (#33) to the Practical Cheminformatics Tutorials series explores Bayesian optimization of reaction conditions. github.com/PatWalters/p... 1122
Pat Walters @wpwalters.bsky.social · 18/11/2024There’s a new Practical Cheminformatics post, “Some Thoughts on Dataset Splitting,” (with code and a robot cartoon) at practicalcheminformatics.blogspot.com/2024/11/some... . 46015
