Home - datryllic

leading open source software engineering consultancy

Your partner for deploying scalable, open source alchemical free energy calculations to accelerate your drug discovery pipelines

what our clients say

"Working with datryllic has greatly accelerated our computational chemistry platform-building processes. With alchemiscale they have enabled exa-scale free energy calculations for us while continuously offering excellent support in both quality assurance and direct communication. We will certainly continue to make use of datryllic's highly skilled services and expertise for building out our computational drug discovery platform."

"You would be lucky to work with David. He’s an excellent communicator, engineer, and organizer, and has helped build and maintain some of our most complex and essential pieces of our scientific software stack. He does a excellent job engaging with users, both by helping train and support them in their use of his tools, and by soliciting their feedback to guide his ongoing development."

"alchemiscale is the most exciting robust, scalable open source execution framework for managing alchemical free energy calculations from HPC cluster scale to cloud scale. alchemiscale powers both the research and drug discovery initiatives in our lab and has enabled us to build an ecosystem of tooling around it. We've enjoyed every minute working with datryllic to build, adapt, and extend open source software to meet our needs."

We work to advance the state of drug discovery and molecular science through open source software

We are scientists by background, engineers by mindset, and believers in the power of open source. We collaborate with others in the field on software solutions that are free to use and extend by anyone, and we offer our consulting services to those that want help in doing so to advance their business objectives.

Check out our Projects page for more details about our engineering efforts.

deep scientific domain knowledge

Having cut our teeth doing academic research, we are well-versed in the scientific domain in which we operate. We performed our doctoral work leveraging large-scale molecular dynamics simulations of membrane proteins, pushing the limits of what alchemical binding free energy methods could tell us about the molecular mechanism underpinning these proteins' behavior.

a focus on engineering and systems design

We love working to advance science, and we do our part by designing, building, deploying, and evolving new software systems that scale the efforts of researchers and practitioners beyond what they can do today. Robust engineering that builds on existing science to enable entirely new science is how we stand on the shoulders of giants.

our services

We leverage open source software to achieve your specific business outcomes

Do you find yourself struggling to deploy or make meaningful use of the open source products we contribute to? Reach out to us! We are likely well-positioned to directly help you.

We are in the business of selling outcomes: we will only work with you if we believe that the technical solutions we deploy will measurably improve your situation. This is a guiding principle for us in our relationship with our clients, and ensures that we only take on high-value, high-impact work.

Our services come in two flavors: plug-and-play and bespoke. Check out our Services page for more details.

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our work

Get to know us and the work we are doing on our About Us page. You’ll also find links to our individual development logs, showcasing our activities in near-real-time.

looking for help?

Send us a message, or schedule a time to meet with us!