Sire is a Python/C++ library that is used both to prototype new algorithms and as an interoperability engine for exchanging information between molecular simulation programs.
Author: chris
Version 12.6.0 is a feature update for ChemDoodle 2D. Included are new features for EPS file output, new keyboard and tool actions familiar to experienced
There have been a number of updates to Rowan largely based on feedback from users. Rowan is a software platform that makes it possible to run
The Amsterdam Modeling Suite 2024 has just been released. The Amsterdam Modeling Suite is used by researchers in all areas of chemistry, materials science, and
There is still time to register for the RSC CICAG Molecular Simulations in Chemistry meeting 14 June 2024 09:30-17:00, Burlington House, London, United Kingdom. You
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
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