openfreeenergy.github.io/index.html at main · OpenFreeEnergy/openfreeenergy.github.io · GitHub

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---
layout: default
description: >-
  An open source ecosystem for calculating binding free energies to guide pharmaceutical drug discovery and design.

bullets:
  - image:
      src: assets/images/main/code-image.jpg
      alt: "Code from Open Free Energy, in a terminal"
    text: >-
      ## Free and Open Source

      Our software is [developed in public on
      GitHub](https://github.com/OpenFreeEnergy) and is released under the permissive
      MIT license.
  - image:
      src: assets/images/main/p381aa.png
      alt: "Ligand in the binding pocket of a protein"
    text: >-
      ## Easily Calculate Binding Free&nbsp;Energies

      We develop tools that enable our users to easily and efficiently
      calculate binding free energies for networks of molecular systems.
  - image:
      src: assets/images/main/drugDesign1_free.png
      alt: "Network of ligand transformations"
    text: >-
      ## 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.
bottom: >-
  ## Open Free Energy is a project hosted by <br> the [Open Molecular Software
  Foundation](https://omsf.io).
---

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        <a href="https://docs.openfree.energy/en/latest/">Read the Documentation</a>
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