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Update README.md
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knc6 authored Jun 29, 2024
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Expand Up @@ -6,12 +6,15 @@ Large language models (LLMs) such as generative pretrained transformers (GPTs) h

## Forward model example (structure to property)

```
python atomgpt/forward_models/forward_models.py --config_name atomgpt/examples/forward_model/config.json
```

## Inverse model example (property to structure)

```
python atomgpt/inverse_models/inverse_models.py --config_name atomgpt/examples/inverse_model/config.json

```

# Google colab/Jupyter notebook

Expand All @@ -22,5 +25,5 @@ python atomgpt/inverse_models/inverse_models.py --config_name atomgpt/examples/i

(Documentation development is in progress...)

![AtomGPT schematic](https://pubs.acs.org/cms/10.1021/acs.jpclett.4c01126/asset/images/large/jz4c01126_0001.jpeg)


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