leading open source software engineering consultancy
Your partner for deploying scalable, open source alchemical free energy calculations to accelerate your drug discovery pipelines.
trusted by
our approach
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
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.
our projects
alchemiscale is a service-oriented execution system for alchemical networks, suitable for utilizing multiple compute resources, such as HPC clusters, individual hosts, Kubernetes clusters, Folding@Home work servers, etc., to support large campaigns requiring high-throughput.
alchemiscale is designed for maximum interoperability with the Open Molecular Software Foundation stack, in particular the OpenForceField and OpenFreeEnergy ecosystems. alchemiscale is fully open source under the permissive MIT license.
datryllic originated the design and leads ongoing development of the alchemiscale project.
meet the team
David L. Dotson, Ph.D.
David is a systems and software engineer with a background in computational physics. He performed his Ph.D. work in Physics in Oliver Beckstein’s computational biophysics laboratory at Arizona State University, and since then has worked in both small startups and large corporate environments. His experience operating within a variety of organizations has granted him hard-won perspective and patience.
David founded datryllic in 2017, and since 2020 has been working full-time as a consultant helping clients to navigate the open source landscape and build custom solutions for their unique needs.
David leverages his mix of design intuition, engineering sense, and emotional intelligence to meet clients where they are, identify where they want to be, and get them there.
You can follow David’s activities via his development log: https://broaderthings.org
Ian M. Kenney, Ph.D.
Ian is a scientific software engineer and computational physicist with a Ph.D. from the Arizona State University Department of Physics, where he designed, conducted, and performed research under the supervision of Dr. Oliver Beckstein. Following his doctoral studies, he took a postdoctoral research position working on the widely used MDAnalysis Python library. This experience deepened his appreciation for the importance of well-designed, thoroughly documented, and carefully implemented software.
Guided by these principles, Ian is passionate about creating maintainable solutions to complex problems. He prioritizes working in the open source ecosystem, where he emphasizes simplicity and clarity in his work.
You can follow Ian’s activities via his development log: https://ianmkenney.dev
