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Add upcoming preprint
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agitter authored Mar 14, 2024
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# Molecular simulations for METL

This repository facilitates high-throughput Rosetta runs to compute energy terms for protein variants.
For more information, please see the [metl](https://github.com/gitter-lab/metl) repository and our manuscript:

**Biophysics-based protein language models for protein engineering**.
Sam Gelman, Bryce Johnson, Chase Freschlin, Sameer D'Costa, Anthony Gitter<sup>+</sup>, Philip A Romero<sup>+</sup>.
*bioRxiv*, 2024.
<sup>+</sup> denotes equal contribution.

## Table of Contents
* [Setup](#setup)
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python code/process_run.py database --main_run_dirs output/htcondor_runs/my_condor_run --db_fn variant_database/my_database.db
```

This database can now be used with the [metl](https://github.com/gitter-lab/metl) repository to create a processed Rosetta dataset and pretrain METL models.
This database can now be used with the [metl](https://github.com/gitter-lab/metl) repository to create a processed Rosetta dataset and pretrain METL models.

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