Digichem for Scientific Research

High-Throughput Computational Chemistry, Simplified. Digichem is an all-in-one platform designed to help academic labs streamline molecular modeling, automate large-scale calculations, and eliminate repetitive data handling.

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Accelerate your computational chemistry workflows with Digichem.

Digichem is an advanced management platform designed to streamline every stage of computational chemistry, from molecule modeling and job submission to data analysis and reporting.

 

Whether you're conducting high-throughput screening or managing complex molecular simulations, Digichem delivers a powerful and intuitive environment that automates repetitive tasks, reduces errors, and improves research efficiency.

Built for scientific discovery.

Modern computational chemistry requires more than just powerful hardware, it needs smart, scalable tools. Digichem gives your lab the ability to:

 

  • Run thousands of simulations with minimal manual oversight

  • Automatically generate publication-ready reports

  • Organise and search data across your entire project pipeline

  • Empower postdocs and PhDs with an intuitive interface

Results
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Join up for the free trial to see how Digichem can transform your approach to computational chemistry.

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Complete Workflow Management
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Handle every aspect of your computational chemistry projects through a single cohesive interface, no more manual file handling or fragmented tools.
User-Friendly Interfaces
Flexible Interface
Choose between an intuitive graphical interface or a powerful command-line experience, whichever suits your workflow best.
High-Performance Automation
Automated Job Management
Automate large-scale calculations and manage thousands of molecules with ease. Define workflows upfront and let Digichem handle the execution.
Seamless Result Reporting
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Automatically generate professional-grade reports in PDF and CSV formats. All results are securely stored in an internal database with advanced search and filtering capabilities.

"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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Built for Researchers. Trusted by Teams.

Digichem supports your research with the reliability, scalability, and precision required in modern scientific computing. Whether you're in academia or industry, our platform helps you focus on science, not software.

Smart Job Queuing
Submit calculations across thousands of molecules with one setup.
Automated Reporting
Get clear PDF/CSV outputs—no formatting required.
Centralised Data Storage
Secure, searchable access to every result in your pipeline.
Intuitive Interfaces
Perfect for both experienced researchers and new lab members.

Questions & Answers

Who can sign up for early access?

DigiChem early access is open to academic institutions and research labs. Priority will be given to Principal Investigators and research group leaders.

What platforms does Digichem support?

Digichem supports both local clusters and cloud-based environments, with a web-based interface and CLI tools.

Is Digichem free to use?

Sign up for the free trial and get started with Digichem today! All you need is access to a computational server, Digichem will take care of the rest.