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Removed NAGL version pin in install command to avoid accidental redir…
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…ect to file (might return with quotes if truly necessary)
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timbernat committed Jan 4, 2025
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Expand Up @@ -85,7 +85,7 @@ One can mix-and-match installing any combination of the toolkits below to taste
```sh
mamba activate polymerist-env
mamba install -c openeye openeye-toolkits
mamba install -c conda-forge espaloma_charge openff-nagl>=0.4
mamba install -c conda-forge espaloma_charge openff-nagl
```

#### 2.1) [OpenEye toolkits (closed-source)](https://docs.eyesopen.com/toolkits/python/intro.html)
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