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Colby T. Ford committed Dec 11, 2024
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# PyMOLfold
Plugin for folding sequences directly in PyMOL using EvolutionaryScale's ESM3 model.

<h3 align="right">Colby T. Ford, Ph.D. | Tuple, LLC</h3>
<h3 align="right">Colby T. Ford, Ph.D.</h3>

![Plugin Screenshot](screenshot.png)
![Plugin Screenshot](img/screenshot_v0.1.0.png)

## Plugin Installation

Expand Down Expand Up @@ -37,14 +37,18 @@ Then, to run a command in your normal terminal, simply point to the PyMOL Python
Here are the example install commands for the supported models:

- ESM3: `pip install esm`
- Boltz-1: `pip install boltz`
- Chai-1: `pip install chai_lab==0.5.0`

> [!NOTE]
> 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.

## Feature Roadmap

- [X] Basic folding with `esm3-small-2024-08`
- [X] Basic folding with `esm3-small-2024-08`.
- [X] Support for the latest ESM3 models.
- [ ] Addiional model support for Boltz-1 and Chai-1 (in beta)
- [ ] UI controls for temperature and steps.
- [ ] Support for multiple chains (or FASTA input format).
- [ ] UI Dropdown to select different models.
- [ ] UI Dropdown to select different models.

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