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Update README.md
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NiklasTR authored Jan 12, 2023
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Expand Up @@ -12,6 +12,10 @@ Stärk, H., Ganea, O.-E., Pattanaik, L., Barzilay, R., & Jaakkola, T. (2022). Eq
# pulling the container
docker pull ghcr.io/labdao-apps/equibind:main
# cloning the repository, including the test data
cd /home/ubuntu
git clone https://github.com/labdao/equibind.git
# running the container on ubuntu linux
docker run -v /home/ubuntu/equibind/test:/inputs -v /home/ubuntu:/outputs ghcr.io/labdao/equibind:main python main.py --protein /inputs/test.pdb --small_molecule_library /inputs/test.sdf
```
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