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Update README.md
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NiklasTR authored Jan 12, 2023
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Expand Up @@ -13,7 +13,7 @@ Stärk, H., Ganea, O.-E., Pattanaik, L., Barzilay, R., & Jaakkola, T. (2022). Eq
docker pull ghcr.io/labdao-apps/equibind:main
# running the container
docker run -v your/path/equibind/test:/inputs -v your/path/Desktop:/outputs ghcr.io/labdao/equibind:main python main.py --protein /inputs/test.pdb --small_molecule_library /inputs/test.sdfdocker
docker run -v your/path/equibind/test:/inputs -v your/path/Desktop:/outputs ghcr.io/labdao/equibind:main python main.py --protein /inputs/test.pdb --small_molecule_library /inputs/test.sdf
```

## Public Container Execution
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