virtual_screening_pipeline.ipynb cannot be properly displayed.

grisoniFr / scaffold_hopping_whales

Code to perform scaffold hopping and virtual screening using WHALES descriptors.

MIT License

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Closed maskot1977 closed 3 years ago

maskot1977 commented 3 years ago

Hello, I am interested in this new descriptors. However, virtual_screening_pipeline.ipynb cannot be properly displayed.

Would you please kindly fix this?

grisoniFr commented 3 years ago

Hello,

this is not an issue of the Jupyter notebook file but of the GitHub notebook renderer (https://github.com/jupyter/notebook/issues/5323).

if you clone the repository locally, launch Jupyter notebook and then open the .ipynb file from there, everything will be displayed correctly.

How to do so is explained in the README file. Also, a step-by-step guide can be found here: https://link.springer.com/protocol/10.1007%2F978-1-0716-1209-5_2

maskot1977 commented 3 years ago

Resolved. Thank you very much!