Colab notebook doesn't work. rdkit not found

MolecularAI / aizynthfinder

A tool for retrosynthetic planning

https://molecularai.github.io/aizynthfinder/

MIT License

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Colab notebook doesn't work. rdkit not found #101

Closed churnikov closed 1 year ago

churnikov commented 1 year ago

Hi!

I tried to use colab notebook, but it didn't work because rdkit could not be found.

But installing rdkit-pypi worked for me. Can I suggest you use rdikit-pypi instead of conda ones? I can create PR for that :)

SGenheden commented 1 year ago

Thank you for your feedback. The Colab notebook is a bit outdated, you made me realize. The latest version of AiZynthFinder can be installed with pip, and this uses the rdkit from pypi. Please go ahead and prepare a PR with an update notebook.

churnikov commented 1 year ago

Hi!

In this PR I made it so that the latest release is always pulled. https://github.com/MolecularAI/aizynthfinder/pull/102

SGenheden commented 1 year ago

Thanks for the PR. Sorry it took so long for me to merge the PR.