Open Free Energy

Open Free Energy is dedicated to developing software that is not only stable and reliable for industrial needs but also fosters the development of new methods destined to become industry standards. The project aims to build bridges between academic and industrial users, allowing them to benefit from the latest advancements in free energy methods. Part of their work includes enhancing the interoperability of existing open source software and assuming maintenance responsibilities for valuable existing packages that lack active maintainers.

The Consortium’s primary goals are threefold: first, to accelerate the development of robust, scalable, and flexible open-source GPU-accelerated alchemical free energy packages; second, to create infrastructure for interoperable workflow components; and third, to establish an open component registry. These aims are geared towards enabling portable, interoperable, and robust free energy calculation workflows, addressing the challenges of the diverse and rapidly evolving free energy methods and the significant investment required by individual pharmaceutical companies to adapt these methods in-house.

The need for such an initiative became evident following the 2018 Alchemical Free Energy Methods in Drug Discovery meeting in Göttingen. Representatives from numerous pharmaceutical companies recognized the need for alchemical free energy methods in drug discovery in biomolecular modeling. However, the ecosystem of alchemical free energy calculation packages lacked interoperability, robustness, and rapid development, hindering its ability to meet the burgeoning needs of the pharmaceutical industry and the increasing availability of inexpensive GPU computing resources.

Check the links below to find out more about Open Free Energy!

Website https://openfree.energy/
Github https://github.com/openfreeenergy
Contact OpenFreeEnergy@omsf.io