20 September 2023, 4-5.30pm UK time, Hybrid (at the CCDC/via Zoom) Zoom registration here: https://zoom.us/meeting/register/tJIqf-qhqjktHtSPZ0jtztLwDWnbp3CxmqUn Programme: Benchmarking Structure-Based 3D Molecular Generative Models Benoit Baillif, University
Category: Macinchem Blog
The blog for the website
I just got details of a new script for PyMOL. The script PyMOLVisualizeFpockets.py relies on the presence of PyMOL in your environment and provides functionality to
I have updated the page list open source cheminformatics toolkits. To date it includes:- OpenBabel (http://openbabel.org/wiki/Main_Page) RDKit (http://www.rdkit.org) CDK (https://cdk.github.io) Indigo (http://lifescience.opensource.epam.com/indigo/) OpenChemLib (https://github.com/Actelion/openchemlib/) ChemDoodle
The latest Royal Society of Chemistry Chemical Information and Computer Applications interest group (http://www.rsccicag.org) newsletter is now available. It can be found on the CICAG
Just looking at the desktop market share over on statcounter. https://gs.statcounter.com/os-market-share/desktop/worldwide The MacOS market share seems to be steadily increasing, is this an Apple Silicon
AlvaBuilder is a software tool for de novo molecular design (Mauri, A., Bertola, M. (2023). AlvaBuilder: A Software for De Novo Molecular Design. https://doi.org/10.1021/acs.jcim.3c00610; Mauri, A.,
New features include support for alchemical absolute binding free energies, full trajectory read, write and editing support, search by smiles and smarts, complete units grammar
Full details of the update are here. Includes updates to Knowledge Graph, GHS Data, and new filters
There is always an uptick of views every time there is a mention of Fortran so I thought I’d highlight this publication DOI. The performance
I’m looking to upgrade my old cylindrical MacPro and I was waiting for WWDC23 to see what the Pro line might have to offer and