Notebook tutorials#

If you want to learn how to use the sevenn Python library instead of the CLI command, please check out the notebook tutorials below.

Please note that the library is not fully documented and typical use cases can be covered by CLI.

Notebooks

Google Colab

Descriptions

From scratch

Open in Google Colab

We can learn how to train the SevenNet from scratch, predict energy, forces, and stress using the trained model, perform structure relaxation, and draw EOS curves.

Fine-tuning

Open in Google Colab

We can learn how to fine-tune the SevenNet and compare the results of the pretrained model with the fine-tuned model.

Sometimes, the Colab environment may crash due to memory issues. If you have sufficient GPU resources in your local environment, we recommend downloading the tutorials from GitHub and running them on your machine.

git clone https://github.com/MDIL-SNU/sevennet_tutorial.git

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