Macs in Chemistry

Insanely Great Science

ChemDoodle 2D updated


The very popular chemical drawing application ChemDoodle has been updated to version 11.8

ChemDoodle 2D v11.8 includes significant improvements to many features, including excellent chain replacement nomenclature in IUPAC naming, support for allene/cumulene stereochemistry, improved bezier curve tools, current InChI support and more file options.

Full details of the update are here

You can get all the ChemDoodle applications (ChemDoodle 2D, 3D and mobile) for a single monthly ($15) or yearly subscriptions ($100), and as a one off lifetime purchase ($750).

More details on the store


Icons for Mac Hard drive


Someone asked me recently where I got the image for the Macintosh HD on my desktop.

macHD icon

Actually they are all available on your Mac.


They can be found in


You will have to right-click (or control click) on CoreTypes.bundle and choose show bundle contents


MacVector on Apple Silicon


Some one just sent me an email mentioning MacVector supports Apple silicon.

MacVector 18.2 requires Mac OS X 10.12 or later. It will NOT work on Windows, Mac OS 9 or on Mac OS X 10.11 or earlier. MacVector 18.2 is a "Universal Binary", meaning it will run natively on both Intel and Apple Silicon based Macintosh computers.


MacBook M1 vs M1 Pro for Data Science and Machine Learning


When the first M1 MacBooks came out there were limited libraries available but over the last year most of the libraries needed for data science now support the new Apple silicon architecture.

Includes details for installing TensorFlow and the test dataset.


Comparing energy usage between M1 Mac and Intel



Added a couple more comparisons.

The pages comparing cheminformatics/compchem apps on the MacBook Pro M1max are proving very popular. Several readers have asked me to compare energy usage which is an excellent suggestion.

Based on a suggestion I purchased Nevsetpo Power Meter UK Plug Power Monitor Watts Meter Plug and I've used it to test a selection of tasks. Once plugged into a socket it monitors total energy consumption of anything device plugged in. Both machines were fully charged and the "Optimised battery charging" was switched off.

I tried a few computationally intensive tasks and details of energy consumption are here..