notebooks

Example notebooks

This directory contains example notebooks that show how to use various aspects of the repository.

Notebook	Purpose
generate_rosetta_dataset.ipynb	Generate a Rosetta pretraining dataset using molecular simulations data obtained from the metl-sim repository.
train_test_split.ipynb	Create train, validation, and test splits for experimental datasets.
pretraining.ipynb	Pretrain METL models with Rosetta data locally.
finetuning.ipynb	Finetune METL models with experimental data locally.
colab_finetuning.ipynb	Finetune METL models with experimental data on Colab.
colab_predicting.ipynb	Predict with METL models with on Colab.

Name		Name	Last commit message	Last commit date
parent directory ..
README.md		README.md
colab_finetuning.ipynb		colab_finetuning.ipynb
colab_predicting.ipynb		colab_predicting.ipynb
finetuning.ipynb		finetuning.ipynb
generate_rosetta_dataset.ipynb		generate_rosetta_dataset.ipynb
pretraining.ipynb		pretraining.ipynb
train_test_split.ipynb		train_test_split.ipynb