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Update README.md
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Magnushhoie committed Sep 18, 2023
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Expand Up @@ -31,7 +31,7 @@ To test the method out without installing it you can try this: [![Open In Colab]
- [numpy](https://github.com/numpy/numpy)
- [py-xgboost-gpu](https://xgboost.readthedocs.io/en/stable/install.html)

# Quickstart guide (CPU only)
# Quickstart guide

```bash
# Setup environment and install
Expand All @@ -47,7 +47,9 @@ pip install .
# Unzip models to use
unzip models.zip

# 1. Predict single PDB (solved structure, run on CPU)
# 1. Predict single PDB (solved structure)
python discotope3/main.py --pdb_or_zip_file data/example_pdbs_solved/7c4s.pdb
# CPU only:
python discotope3/main.py --cpu_only --pdb_or_zip_file data/example_pdbs_solved/7c4s.pdb
```

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