Publication ready renders

Digichem orchestrates stunning 3D renders of your molecules for you. Automatically capture every image you need for publication as part of the normal calculation workflow, no need for manual intervention.

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Beautiful by default

No need to waste time modifying rendering settings, just high quality images from the start.

Ready for anything

Include in your presentations, publications, internal reports, or wherever else you need.

Fully automated

Human time is valuable. Save yours for the science and let Digichem handle the busywork.

Designed by Chemists. Built for Productivity

Whether you’re running a single molecular simulation or managing large-scale screenings across thousands of compounds, Digichem makes it easy to focus on the science, not the setup.

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Straight from the source

After each calculation, Digichem automatically parses the raw output files to extract the data you need.

Multi angle

Posed for the best angle

Molecular alignment is difficult, but Digichem makes it easy. Each molecule is automatically rotated using our alignment algorithm to best fit the Cartesian axes. Each image is then rendered at four different orientations, making sure we capture the best angle possible.

Densities

Densities too

Chemists care about electrons, so why exclude them? Digichem automatically renders electron densities too, including both the total electron density as well as individual orbitals.

See it for yourself

Not yet convinced? Check out some of the molecules below that we've lovingly rendered for you. In a real calculation of course, you'd get four images for each of the ones that we're shown here (one for each angle). For convenience, we've just shown you the best angle for each.

Molecular structure

Electron density

Dipole moments

Molecular orbitals

Don't just take our word for it

Cambridge
10.0

The potential of the program to streamline the computational process was immediately obvious, and I was particularly impressed by the automated reporting and image generation features.

Prof. Hugo Bronstein
Oxford
10.0

The ability to submit multiple simulations simultaneously has proven particularly useful!

Prof. Matthew Fuchter
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10.0

I was very impressed with the novel approach to handling calculations that they had adopted, and it was immediately obvious how this new workflow would be much easier for new practitioners to learn

Prof. Zac Hudson
Imperial-College-London-logo1
9.7

Incredibly simple to use and helps massively with file organisation too. Digichem has become my go-to for routine DFT calculations. Highly recommend!

Hamish Trowell
Cambridge
10.0

I found it great! It would be perfect for those who are new to computational chemistry in my research group.

Lucy Walker
glasgow
10.0

Never completed a computation before. Eager to learn and try to incorporate it into my research. The examples are excellent.

Dr. Alex Loch
kit
10.0

I couldn’t get ADC2 and CC2 jobs in Turbomole running properly with manual job submission on our server. ADC2 and CC2 are no problem with Digichem anymore.

Andre Jung

See what else Digichem has to offer

Digicloud

Your new home for computations; a fully managed computational cluster in the cloud.

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Fully interactive interface

Manage the entire computational pipeline from a single program, all without having to touch a command line.

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Calculation chaining

Queue-up chains of calculations in advance and let Digichem handle the submission process.

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Automated result processing

Digichem parses and collates the data from each of your calculations automatically.

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Publication ready renders

Automatically generate stunning 3D renders of your molecules and densities.

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And so much more...

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Ready to Transform Your Workflow?

Digichem is your digital lab assistant - automating complexity so you can focus on discovery.

Try it for yourself (it's free)
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