Skip to content

Commit

Permalink
Update README to include Colab links
Browse files Browse the repository at this point in the history
Add links to Colab notebooks that are replicates of some of the notebooks in /ipython.
  • Loading branch information
xiaoruiDong committed Sep 7, 2023
1 parent 744b381 commit 5ad04b0
Showing 1 changed file with 6 additions and 3 deletions.
9 changes: 6 additions & 3 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,12 @@ conda install -c xiaoruidong rdmc

For detailed APIs, please check the [documentation](https://rdmc.readthedocs.io).

## Demos
Feel free to check demos in the `ipython/`, some of them are also available on the Google Colab:
- [Generate Atom Map for Reactions](https://colab.research.google.com/drive/19opX3Sr4R24o9n8f1o4LMSqlVIwN83xk?usp=sharing)
- [Handle molecule from/to XYZ](https://colab.research.google.com/drive/1QbmdvUMQqByPBDQVW7xTlp2rXg9EJ2_J?usp=sharing)
- [Parse QM Results](https://colab.research.google.com/drive/1JnTzETOGE3R3Q_foOLsnFgeN883J36dl?usp=sharing)

## Requirements
* python
* numpy
Expand All @@ -24,6 +30,3 @@ For detailed APIs, please check the [documentation](https://rdmc.readthedocs.io)
* networkx
* matplotlib
* cclib

## Demos
Feel free to check demos in the `ipython/` to learn some basic use of RDMC repository

0 comments on commit 5ad04b0

Please sign in to comment.