When AlphaFold was originally published by Google/Deepmind it was a step change in predicting protein 3D structures and it sparked an upsurge in activity around
Author: chris
As I’ve mentioned before the most popular page on this site is Fortran on a Mac, I’m not a big Fortran user but I do
rdEditor is a simple RDKit molecule editor GUI using PySide2. Code is on GitHub https://github.com/EBjerrum/rdeditor?tab=readme-ov-file The paper is on chemrxiv https://chemrxiv.org/engage/chemrxiv/article-details/65e6dcfa9138d23161b2979c
Whilst everyone is waiting for the WWDC 2024 and the latest plans from Apple to integrate more “AI”. I thought it might be amusing to
Apple have just released OpenELM, a family of Open-source Efficient Language Models. https://huggingface.co/apple/OpenELM
The next Cambridge Cheminformatics Meeting – on 8 May 2024, 4pm UK time; Hybrid, at the CCDC and on Zoom! Full details are on the
This looks very useful for anyone having to process multiple molecules, I particularly like the error processing! The open-source package scikit-learn provides various machine learning
tmap is a very fast visualisation library for large, high-dimensional data sets. It was published in 2020 DOI and the code is available on GitHub
I’m sometimes asked for a tool to compare the similarity of a list of molecules with every other molecule in the list. I suspect there
Interesting paper on Biorxiv https://www.biorxiv.org/content/10.1101/2023.09.27.559736v1.full.pdf We propose a method dedicated to finding antibodies in cryo-EM densities : CrAI. This machine learning method leverages the conserved structure