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Update command line argument for Chai1 usage #26

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rclune merged 1 commit into from
Oct 23, 2025
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Update command line argument for Chai1 usage #26

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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -84,7 +84,7 @@ The outputs will be written to:
pipeline_outputs/${now:%Y-%m-%d}_${now:%H-%M-%S}_open_source_demo
```

This runs only the design stage of the pipeline. In order to continue through sequence-fitting with [LigandMPNN](https://github.com/dauparas/LigandMPNN) and folding with [Chai1](https://github.com/chaidiscovery/chai-lab), pass the command line argument: `stop_step=''`. Note that Chai1 cannot run on all GPU architectures.
This runs only the design stage of the pipeline. In order to continue through sequence-fitting with [LigandMPNN](https://github.com/dauparas/LigandMPNN) and folding with [Chai1](https://github.com/chaidiscovery/chai-lab), pass the command line argument: `stop_step='end'`. Note that Chai1 cannot run on all GPU architectures.

Pipeline runs can be resumed by passing `outdir=/path/to/your/output/directory`.

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