diff --git a/README.md b/README.md index 6bb71e2..21202e5 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,12 @@ # 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+, Philip A Romero+. +*bioRxiv*, 2024. ++ denotes equal contribution. ## Table of Contents * [Setup](#setup) @@ -337,4 +342,4 @@ Then, add the results of one or more HTCondor runs to the database using the `da 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. \ No newline at end of file +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.