Update README.md

usnistgov · Oct 4, 2024 · 148dc02 · 148dc02
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@@ -40,7 +40,7 @@ pip install atomgpt
 
 ## Forward model example (structure to property)
 
-Forwards model are used for developing surrogate models for atomic structure to property predictions. It requires text input which can be either the raw POSCAR type files or a text description of the material. After that, we can use Google-T5/ OpenAI GPT2 etc. models with customizing langauage head for accomplishing such a task. The description of a material is generated with [ChemNLP/describer](https://github.com/usnistgov/jarvis/blob/master/jarvis/core/atoms.py#L1567) function. If you turn [`convert`](https://github.com/usnistgov/atomgpt/blob/main/atomgpt/forward_models/forward_models.py#L64) to `False`, you can also train on bare POSCAR files.
+Forwards model are used for developing surrogate models for atomic structure to property predictions. It requires text input which can be either the raw POSCAR type files or a text description of the material. After that, we can use Google-T5/ OpenAI GPT2 etc. models with customizing langauage head for accomplishing such a task.
 
 ```
 atomgpt_forward --config_name atomgpt/examples/forward_model/config.json
@@ -61,7 +61,8 @@ More detailed examples/case-studies would be added here soon.
 
 | Notebooks                                                                                                                                      | Google&nbsp;Colab                                                                                                                                        | Descriptions                                                                                                                                                                                                                                                                                                                                                                                              |
 | ---------------------------------------------------------------------------------------------------------------------------------------------- | -------------------------------------------------------------------------------------------------------------------------------------------------------- | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
-| [Forward/Inverse Model training](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_example.ipynb)                                                       | [![Open in Google Colab]](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_example.ipynb)                                 | Example of installing AtomGPT, inverse model training for 5 sample materials, using the trained model for inference, relaxing structures with ALIGNN-FF, generating a database of atomic structures, train a forward prediction model.                                                                                                                                                                                                                                                                       |
+| [Forward Model training](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_forward_example.ipynb)                                                       | [![Open in Google Colab]](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_forward_example.ipynb)                                 | Example of forward model training for exfoliation energy.                                                                                                                                                                                                                                                                       |
+| [Inverse Model training](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_example.ipynb)                                                       | [![Open in Google Colab]](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_example.ipynb)                                 | Example of installing AtomGPT, inverse model training for 5 sample materials, using the trained model for inference, relaxing structures with ALIGNN-FF, generating a database of atomic structures.                                                                                                                                                                                                                                                                       |
 | [HuggingFace model inference](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_example_huggingface.ipynb)                                                  | [![Open in Google Colab]](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/atomgpt_example_huggingface.ipynb)                            | AtomGPT Structure Generation/Inference example with a model hosted on Huggingface.                                                                                                                                                                                                                                                                                                                                 |