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README.md

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# PyMOLfold
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Plugin for folding sequences directly in PyMOL using EvolutionaryScale's ESM3 model.
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<h3 align="right">Colby T. Ford, Ph.D. | Tuple, LLC</h3>
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<h3 align="right">Colby T. Ford, Ph.D.</h3>
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![Plugin Screenshot](screenshot.png)
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![Plugin Screenshot](img/screenshot_v0.1.0.png)
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## Plugin Installation
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Here are the example install commands for the supported models:
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- ESM3: `pip install esm`
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- Boltz-1: `pip install boltz`
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- Chai-1: `pip install chai_lab==0.5.0`
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> [!NOTE]
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> Note: To use an ESM3 model, you'll need an API key from [Evolutionary Scale Forge](https://forge.evolutionaryscale.ai/). Otherwise, the plugin can't download the folding model.
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## Feature Roadmap
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- [X] Basic folding with `esm3-small-2024-08`
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- [X] Basic folding with `esm3-small-2024-08`.
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- [X] Support for the latest ESM3 models.
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- [ ] Addiional model support for Boltz-1 and Chai-1 (in beta)
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- [ ] UI controls for temperature and steps.
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- [ ] Support for multiple chains (or FASTA input format).
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- [ ] UI Dropdown to select different models.
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- [ ] UI Dropdown to select different models.

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