--- title: Digichem | Home --- [![Digichem-1](https://digi-chem.co.uk/hubfs/Digichem-1.svg "Digichem-1")](https://digi-chem.co.uk) - Product Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) - Community Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) - Resources Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem paper](https://digi-chem.co.uk/resources) - [Cite us](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Try for free!](https://digi-chem.co.uk/get-started-month) [![Digichem-1](https://digi-chem.co.uk/hubfs/Digichem-1.svg "Digichem-1")](https://digi-chem.co.uk) - Product Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) - Community Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) - Resources Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem paper](https://digi-chem.co.uk/resources) - [Cite us](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Try for free!](https://digi-chem.co.uk/get-started-month) [![Digichem (inverse)-1](https://digi-chem.co.uk/hubfs/Digichem%20(inverse)-1.svg "Digichem (inverse)-1")](https://digi-chem.co.uk) - Product Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) - Community Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) - Resources Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem paper](https://digi-chem.co.uk/resources) - [Cite us](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Try for free!](https://digi-chem.co.uk/get-started-month) Digichem. Computational Chemistry Simplified     ## Easy-to-use interfaces, automated processing, and highly scalable. Digichem makes molecular modelling a breeze. [Try now for free!](https://digi-chem.co.uk/get-started-month?hsLang=en-gb) ### 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. Lightning Fast Submit, monitor, and manage all your computational tasks in the blink of an eye using Digichem’s intuitive interface. Show me how to Submit Monitor Manage Easy As Pie Use our graphical user interface for ease or command-line tools for power, whichever suits your style. See it in the GUI Terminal CLI Completely Automated Define calculation chains in advance, and let Digichem handle queuing, execution, and error handling. Smart With Data Digichem collects, formats, and stores results automatically, producing clear reports in PDF, CSV, and searchable database formats. Perfect for carrying out your own analysis, sharing with collaborators, or complying to FAIR data practices. Show me the PDF Database ![DigichemFavicon](https://digi-chem.co.uk/hs-fs/hubfs/DigichemFavicon.png?width=600&height=496&name=DigichemFavicon.png) ## Ready to get started? Explore our documentation, or contact us to schedule a personalised demo. [Get Started](https://digi-chem.co.uk/get-started-year-old?hsLang=en-gb) ### Upgrade your existing workflow Digichem connects to the computational programs that you're already using, managing them on your behalf for a stress-free experience. Digichem comes out of the box with support for: ## Four computational engines [PySCF Built in, for free! Show me](https://digi-chem.co.uk/hubfs/Reports/1_4_Phx_nap_phx.pyscf.blender.pdf?hsLang=en-gb) [Gaussian From 03 to 16 Show me](https://digi-chem.co.uk/hubfs/Reports/1_4_Phx_nap_phx.gaussian.blender.pdf?hsLang=en-gb) [Orca From v4.x to v6.x Show me](https://digi-chem.co.uk/hubfs/Reports/1_4_Phx_nap_phx.orca.blender.pdf?hsLang=en-gb) [Turbomole From v6.x to v7.x Show me](https://digi-chem.co.uk/hubfs/Reports/1_4_Phx_nap_phx.turbomole.blender.pdf?hsLang=en-gb) Don't have access to Gaussian, Orca, or Turbomole? No worries, we've got you covered. All copies of Digichem come preinstalled with the open-source PySCF computational engine, completely for free! [See what PySCF can do for you.](https://pyscf.org/) Is your favourite program not supported yet? [Why not let us know and we'll get right on it.](https://github.com/Digichem-Project/build-boy/issues) Click me ## Two rendering engines For the generation of publication-ready 3D renders, Digichem gives you a choice of two different rendering engines. Visual Molecular Dynamics (VMD) [is free for research use](https://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD), is lightning fast, and has been a staple of computational chemistry publications for years. Blender, using the Beautiful Atoms plugin, is a relative newcomer to the publication world but offers unrivalled rendering quality. Even better, a copy of Blender is bundled inside your Digichem distribution automatically, all for free! [Blender ![Caffeine.structure.x0y0z0](https://digi-chem.co.uk/hubfs/Reports/Caffeine.structure.x0y0z0.png) Using the Beautiful Atoms plugin. Built in, for free! Learn more](https://beautiful-atoms.readthedocs.io/en/latest/) [Visual Molecular Dynamics ![Caffeine.structure.x0y0z0](https://digi-chem.co.uk/hubfs/Caffeine.structure.x0y0z0.jpg) Versions 1.9.x onwards.  Learn more](https://www.ks.uiuc.edu/Research/vmd/) ## And two resource managers Digichem runs on your normal computational server, and automatically interfaces to you server queues. For full ease of mind, Digichem supports both of the two most popular resource managers. [SLURM All modern versions. Includes support for array jobs, and arbitrary Generic RESources (GRES) if you need. Learn more](https://www.openpbs.org/) [PBS/Torque Including OpenPBS and PBS professional.   Includes support for array jobs. Learn more](https://www.openpbs.org/) Please note that Digichem is in no way affiliated with Gaussian, Turbomole, Orca, Blender, Beautiful Atoms, VMD, SLURM or any distribution of PBS, and relevant trademarks are held by their respective owners. We worry about security, so you don't have to   All Digichem traffic is encrypted with Transport Layer Security (TLS), and you keep the same login credentials that you normally use. ### Computational chemistry for everyone 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. Pharmaceutical R&D ![Pharma R&D](https://digi-chem.co.uk/hubfs/Pharma%20R%26D.jpg) Run high-throughput screening with minimal manual oversight. Click me Academic Research ![Academic Research](https://digi-chem.co.uk/hubfs/Academic%20Research.jpg) Accelerates thesis work and computational studies Click me Photonic Materials ![Photonics](https://digi-chem.co.uk/hubfs/Material%20Sciene.jpg) Simulate molecular properties at scale. Chemical Engineering ![Chemical Engineering](https://digi-chem.co.uk/hubfs/Chemical%20Engineering.jpg) Model complex systems with reliability, Click me ### "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 ![images](https://digi-chem.co.uk/hubfs/images.png) ![3uRgf_U__400x400](https://digi-chem.co.uk/hubfs/3uRgf_U__400x400.jpg) ![az-university-of-british-columbia-logo](https://digi-chem.co.uk/hubfs/az-university-of-british-columbia-logo.png) ![Imperial-College-London-logo1](https://digi-chem.co.uk/hubfs/Imperial-College-London-logo1.jpg) ![images](https://digi-chem.co.uk/hubfs/images.png) ![glasgow](https://digi-chem.co.uk/hubfs/glasgow.png) ![kit](https://digi-chem.co.uk/hubfs/kit.png) Unlock the Power of Automation ![Submit](https://digi-chem.co.uk/hubfs/Screens/Submit.png) Digichem eliminates repetitive manual processes, reduces the risk of error, and accelerates your research. It’s the digital lab assistant every computational chemist needs. Click me Trusted by Scientists, Built for Scalability ![Results](https://digi-chem.co.uk/hubfs/Screens/Results.png) 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. Click me ![DigichemFavicon-1](https://digi-chem.co.uk/hs-fs/hubfs/DigichemFavicon-1.png?width=600&height=496&name=DigichemFavicon-1.png) ## Ready to Transform Your Workflow? Digichem is your digital lab assistant—automating complexity so you can focus on discovery. [Get Started](https://digi-chem.co.uk/get-started-year-old?hsLang=en-gb) ![Digichem Logo](https://digi-chem.co.uk/hubfs/Digichem%20Logo.svg "Digichem Logo") ---   Your own DFT cluster, without the cluster ##### Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) ##### Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) ##### Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem Paper](https://digi-chem.co.uk/resources) - [Citations](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) ##### For you - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Get started](https://digi-chem.co.uk/get-started-month) [See our code on github](https://github.com/Chemicus-Ltd/) [Follow us on X](https://x.com/DigichemProject) [Follow us on LinkedIn](https://www.linkedin.com/company/digichem/) [Follow us on Bluesky](https://bsky.app/profile/digichem.bsky.social)