This site is intended to provide a resource for chemists using Apple Macintosh computers. The links in the sidebar give access to a variety of resources that I hope you will find valuable.
Have a look at the MacInChemBlog for the latest news, tips and comments.
One particularly population section is Comparing a MacBook Pro Apple M1 max with Intel MacBookPro for Cheminformatics/CompChem, this includes comparison using RDKIt, OpenBabel, MOE, Jupyter notebooks and Vortex. Full details are here.
If you have any comments or suggestions please contact me.
At a glance…
iBabel - An easy to use, graphical user interface for the command line file conversion tool OpenBabel It also includes 2D/3D structure viewers and a selection of cheminformatics tools based on OpenBabel. iBabel is now a universal app.
Unix Tips Unix commands for helping deal with very large files
Mobile Science - Finding scientific iPhone (and iPad) applications on the App Store can be a bit hit and miss so I’ve compiled a database of all the apps that I am aware of, feel free to send me details of any that are missing.
Software Reviews - A Growing Collection of Reviews of Scientific Software
Data Analysis Tools - A comprehensive list containing all the Data Analysis Tools available for Mac OS X.
Reference Management - A comprehensive list containing all the Reference Management Applications available for Mac OS X.
Spectroscopy - A listing of Mac compatible apps
Cheminformatics toolkits - A listing of Open-Source Cheminformatics toolkits
Data Science Libraries - A list of useful python libraries for data science
Last Updated 11 Feb 2023