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An open source ecosystem for calculating binding free energies to guide pharmaceutical drug discovery and design.

Free and 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

Easily Calculate Binding Free Energies

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

Developed for Drug 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 a project hosted by
the Open Molecular Software Foundation.