Skip to content

Commit

Permalink
CCAI OCP Tutorial (#314)
Browse files Browse the repository at this point in the history
* organize tutorials

* tutorial doc

* update tutorial link

* Update README.md

* add colab notebook

* Update README.md

* created using Colaboratory

* remove old colab notebook

* Update README.md

* typo

* link colab directly

* suppress large outputs
  • Loading branch information
mshuaibii authored Jan 11, 2022
1 parent 2d944b8 commit 2ffe8bc
Show file tree
Hide file tree
Showing 10 changed files with 4,948 additions and 286 deletions.
9 changes: 2 additions & 7 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -132,14 +132,9 @@ Numbers (in papers, etc.) should be reported from the evaluation server.

Pretrained model weights accompanying [our paper](https://arxiv.org/abs/2010.09990) are available [here](https://github.com/Open-Catalyst-Project/ocp/blob/master/MODELS.md).

### Tutorials
## Tutorials

Interactive tutorial notebooks can be found [here](https://github.com/Open-Catalyst-Project/ocp/tree/master/docs/source/tutorials) to help familirize oneself with various components of the repo:

- [Data visualization](https://github.com/Open-Catalyst-Project/ocp/blob/tutorials/docs/source/tutorials/data_visualization.ipynb) - understanding the raw data and its contents.
- [Data preprocessing](https://github.com/Open-Catalyst-Project/ocp/blob/tutorials/docs/source/tutorials/data_preprocessing.ipynb) - preprocessing raw ASE atoms objects to OCP graph Data objects.
- [LMDB dataset creation](https://github.com/Open-Catalyst-Project/ocp/blob/tutorials/docs/source/tutorials/lmdb_dataset_creation.ipynb) - creating your own OCP-compatible LMDB datasets from ASE-compatible Atoms objects.
- [S2EF training example](https://github.com/Open-Catalyst-Project/ocp/blob/tutorials/docs/source/tutorials/train_s2ef_example.ipynb) - training a SchNet S2EF model, loading a trained model, and making predictions.
Interactive tutorial notebooks can be found [here](https://github.com/Open-Catalyst-Project/ocp/tree/master/tutorials) to help familirize oneself with various components of the repo.

## Discussion

Expand Down
89 changes: 0 additions & 89 deletions docs/source/tutorials/getting_started.rst

This file was deleted.

20 changes: 0 additions & 20 deletions docs/source/tutorials/submission.rst

This file was deleted.

170 changes: 0 additions & 170 deletions docs/source/tutorials/training.rst

This file was deleted.

Loading

0 comments on commit 2ffe8bc

Please sign in to comment.