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@@ -15,12 +15,18 @@ The conda environment can be setup using
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conda env create -f environment.yml
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```
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### SSEmb setup
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* Download the test.tar.gz file from Zenodo and place it in the root directory of this repo.
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* Download the test.tar.gz file from Zenodo and place it in the assets directory of this repo.
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* Use `scripts/setup_ssemb.sh` to setup the data and code.
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* Follow instructions on the [SSEmb Github](https://github.com/KULL-Centre/_2023_Blaabjerg_SSEmb) to run proteinGym assays.
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You can follow the instructions on:
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### ProteinGym setup
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### ProteinGym setup for running ESM-IF1 with experimental structures
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* Download the experimental_struct_artifacts.tar.gz file from Zenodo and place it in the assets directory of this repo.
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* Use `scripts/setup_proteinGym.sh` to setup the data and code.
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* Follow instructions on the [ProteinGym Github](https://github.com/OATML-Markslab/ProteinGym) to setup scipts/zero_shot_config.sh within ProteinGym.
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* cd into the cloned `ProteinGym/scripts/scoring_DMS_zero_shot directory`. Run `sh score_multichain_structs_esm.sh` to generate ESM-IF1 scores for experimental
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