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content/community/events/workshops/1st-Open-Force-Field-Workshop/index.md
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content/community/events/workshops/2nd-Open-Force-Field-Workshop/index.md
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content/community/events/workshops/3rd-Open-Force-Field-Workshop/index.md
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content/community/events/workshops/4th-Open-Force-Field-Workshop/index.md
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title: 4th Open Force Field Workshop | ||
description: The 4th Open Force Field Workshop was held as a series of online presentations over several months in 2021. | ||
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### June - September, 2021 | Online Workshop Series | ||
These talks are available on our [YouTube Channel](https://youtube.com/playlist?list=PLYW6oF6nr8Nv4FsU7jZgF_qnbid2TQisr&si=SPsMwRzF4Ly8weuD). | ||
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## Keynote | ||
June 11th, 2021 | ||
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**Simon Boothroyd** | ||
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**David Mobley** | ||
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**Jeff Wagner** | ||
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(https://doi.org/10.5281/zenodo.4950029) | ||
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## Benchmarking | ||
September 1st, 2021 | ||
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**Lorenzo D'Amore** Large scale benchmarking of force fields in protein-ligand free energy calculations | ||
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(https://doi.org/10.5281/zenodo.5369857) | ||
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## Bespoke Fitting | ||
September 8th, 2021 | ||
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**Joshua Horton** Automated Bespoke Parameters for OpenFF | ||
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(https://doi.org/10.5281/zenodo.5495926) | ||
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<iframe width="560" height="315" src="https://www.youtube-nocookie.com/embed/videoseries?si=ILxRak1DSQjGEJ3l&list=PLYW6oF6nr8Nv4FsU7jZgF_qnbid2TQisr" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" allowfullscreen></iframe> |
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content/community/events/workshops/5th-Open-Force-Field-Workshop/index.md
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title: 5th Open Force Field Workshop | ||
description: The 5th Open Force Field Workshop was held as a series of online presentations over several months in 2022. | ||
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### June - October, 2022 | Online Workshop Series | ||
These talks are available on our [YouTube Channel](https://youtube.com/playlist?list=PLYW6oF6nr8NvEuaasDOcpZlQoy8NYsXDs&si=6BgwFhjraUXrFCzd) | ||
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## Keynote | ||
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June 28, 2022 | ||
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**David Mobley** | ||
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**Jeff Wagner** | ||
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**Lily Wang** | ||
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**Diego Nolasco** | ||
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(https://doi.org/10.5281/zenodo.6774451) | ||
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## Interchange Showcase | ||
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**Matt Thompson** This session covers the current state of Interchange development and future plans. The example code explores the API points for creating, inspecting, modifying, combining, and exporting parameterized molecular systems using the new Interchange object, and shows examples of how Interchange can be tied into larger workflows. | ||
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(https://doi.org/10.5281/zenodo.7121172) | ||
[Watch on YouTube](https://youtu.be/YA3PpeFFcqk?si=3PUbUlmSTNL6FVwP) | ||
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## Biopolymer Showcase | ||
September 27, 2022 | ||
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**Josh Mitchell** A session on biopolymer support in OpenFF Toolkit 0.11, showing advanced usage by parametrizing a protein with a post-translational modification (PTM). This workshop demonstrates loading and parametrizing biopolymers with the OpenFF Toolkit, including a preview of support for a non-canonical amino acid. We introduce the Toolkit's new biopolymer support, and then demonstrate a way to apply a post-translational modification. We look at optimizing charge generation by transferring charges generated from a simpler molecule to our new peptide, and then simulate it in OpenMM! | ||
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(https://doi.org/10.5281/zenodo.7307172) | ||
[Watch on Youtube](https://www.youtube.com/watch?v=lZ4UUgHQpWg) | ||
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## BespokeFit Showcase | ||
October 19th & 25th, 2022 | ||
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**Josh Mitchell** An example session on using BespokeFit and incorporating it into your workflows. BespokeFit is an OpenFF package for automatically optimising torsion parameters for arbitrary small molecules. We present a worked example taking a ligand through optimization and simulation | ||
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(https://doi.org/10.5281/zenodo.7340156) | ||
[Watch on YouTube](https://youtu.be/jI1t7QGir98) | ||
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<iframe width="560" height="315" src="https://www.youtube-nocookie.com/embed/videoseries?si=6BgwFhjraUXrFCzd&list=PLYW6oF6nr8NvEuaasDOcpZlQoy8NYsXDs" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" allowfullscreen></iframe> |
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content/community/events/workshops/6th-Open-Force-Field-Workshop/index.md
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title: 6th Open Force Field Workshop | ||
description: The 6th Open Force Field Workshop was held as a part of the 2023 Open Molecular Software Foundation Symposium. | ||
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### May 14, 2023 | part of the 2023 OMSF Symposium | ||
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These talks are available on our [YouTube Channel](https://youtube.com/playlist?list=PLYW6oF6nr8NuU1JeTHsMPaeYLYSjLhvSP&si=xXm23FMULpNWs5ob) | ||
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<iframe width="560" height="315" src="https://www.youtube-nocookie.com/embed/videoseries?si=XOLI03S0hrqZs1EF&list=PLYW6oF6nr8NuU1JeTHsMPaeYLYSjLhvSP" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" allowfullscreen></iframe> |