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update readme.md
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TieuLongPhan committed Dec 9, 2024
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Expand Up @@ -82,6 +82,8 @@ If you want to run ensemble AAMs
```
pip install syntemp
```
Optional if you want to install full version
```
pip install syntemp[all]
```

Expand Down Expand Up @@ -118,7 +120,6 @@ If you want to run ensemble AAMs
safe_mode=False,
save_dir=None,
fix_hydrogen=True,
refinement_its=False,
)

(gml_rules, reaction_dicts, templates, hier_templates,
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