Digichem. Computational chemistry simplified.

Easy-to-use interfaces, automated processing, and highly scalable. Digichem makes molecular modelling a breeze.

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Designed for 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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End-to-End Workflow Control

Submit, monitor, and manage all your computational tasks from a single intuitive interface.

Flexible Interface

Flexible Interface Options

Use our graphical user interface for ease or command-line tools for power, whichever suits your style.

Automated Job Management

Automated Job Management

Define calculation chains in advance, and let Digichem handle queuing, execution, and error handling.

Smart Data

Smart Data Handling

Digichem collects, formats, and stores results automatically, producing clear reports in PDF, CSV, and searchable database formats. Conforming to FAIR data practices has never been so easy.

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Explore our documentation, or contact us to schedule a personalised demo.

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Who is Digichem for?

Whether you're working in academia or industry, Digichem helps you manage large-scale calculations with ease. Reduce manual processes, eliminate errors, and accelerate discovery.

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Pharma R&D

Pharmaceutical R&D

Run high-throughput screening with minimal manual oversight

Academic Research

Academic Research

Accelerate thesis work and computational studies

Material Sciene

Material Science

Simulate molecular properties at scale

Chemical Engineering

Chemical Engineering

Model complex systems with reliability

"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

| University of Cambridge

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

Prof. Matthew Fuchter

| University of Oxford

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

| University of British Columbia

“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

(PhD Student) | Imperial College London

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

Lucy Walker

PhD Student | University of Cambridge

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

Dr. Alex Loch

UK IC Fellow | University of Glasgow

“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

PhD Student | KIT

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Unlock the Power of Automation

Digichem eliminates repetitive manual processes, reduces the risk of error, and accelerates your research. It’s the digital lab assistant every computational chemist needs.

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Trusted by Scientists, Built for Scalability

From academic institutions to commercial R&D teams, Digichem supports cutting-edge research at every level. Scalable, robust, and backed by expert documentation, Digichem is ready to grow with your projects.

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Ready to Transform Your Workflow?

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

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