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The Open Free Energy initiative is dedicated to the development of open-source tools for binding free energy calculations to guide pharmaceutical drug design and discovery.

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OPEN SOURCE

Our software is developed in public on GitHub and is released under the permissive MIT license.

Code from Open Free Energy, in a terminal

BINDING FREE ENERGY

We develop tools that enable our users to easily and efficiently calculate binding free energies for networks of molecular systems.

Ligand in the binding pocket of a protein

DRUG DESIGN AND DISCOVERY

Our tools are designed with pharmaceutical lead optimization in mind, and we work closely with our board members in industry to develop tools that meet the needs of real-world users.

Network of ligand transformations

Open Free Energy is hosted by the Open Molecular Software Foundation.