Practical Cheminformatics Index - Practical Cheminformatics - https://patwalters.github.io/
patwalters.github.io · 2,638 words · saved by 1 readers
Unified index of posts from Blogger and GitHub Pages.
Unified index of posts from Blogger and GitHub Pages . Total posts: 87 Generated on 2026-04-11. Date Title Source Keywords Description 2026-02-07 AI in Drug Discovery - Please Stop Fishing in the Bathtub! GitHub AI, Drug Discovery, Benchmarking Critiques the misuse of the DUD-E dataset for validating machine learning models, arguing that models often “cheat” by recognizing simple chemical patterns rather than actual protein-ligand interactions. 2026-01-17 Practical Cheminformatics with Marimo GitHub Marimo, Jupyter, Python, Visualization Introduces Marimo, a reactive Python notebook, as a supe
saved by
related reading
- rsrch spacersrch.space
- Towards Data Sciencetowardsdatascience.com
- Archivemattrickard.com
- Andrej Karpathy blogkarpathy.github.io
- The Business of Extracting Knowledge from Academic Publicationsmarkusstrasser.org
- Non_Interactive – Software & MLnonint.com
- TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discoveryarxiv.org
- Towards Data Sciencetowardsdatascience.com
- Reading Listpliutau.com
- So where are we with deep learning for biochem?ladanuzhna.xyz
- Towards Data Sciencetowardsdatascience.com
- Towards the explainability of protein language modelsnature.com