Digichem. The computational chemistry management suite.
Easy-to-use interfaces, automated processing, and highly scalable. Digichem makes molecular modelling a breeze.
Total management
From the submission of calculations to the collation of data, everything is handled for you.
Easy to use
With a fully interactive interface to replace (or augment) the command-line.
Highly automated
Cutting-out repetitive tasks and automating processes that don’t require human intervention.
Accessible interfaces that suit you
Leave the command line behind with our fully graphical interface or power-up your scripting with the CLI. Digichem gives you the tools to work at your best.
Powerful job queuing
Designed from the ground-up to support large scale screens, Digichem makes it trivial to run calculations on thousands of molecules at once. What’s more, Digichem lets you specify chains of computations in advance so you don’t need to micromanage your pipeline.
Automated results parsing
When your calculations are done, Digichem formats your data for you. Interested in your results at a glance or keen to share them with a colleague? Then the PDF report has you covered. For further data processing, look no further than the CSV tables. If it’s collation and comparison of data from a big screen, then check out the internal database with full support for search queries.
See what else Digichem can do for you
Check out the documentation