Add install rdkit - Githubissues

pablo-arantes / making-it-rain

Cloud-based molecular simulations for everyone

MIT License

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Add install rdkit #80

Open mainguyenanhvu opened 10 months ago

pablo-arantes commented 10 months ago

We don't need to do that, because when we install the openmm forcefields (!mamba install openmmforcefields -c conda-forge -y) RDkit is installed as well.

mainguyenanhvu commented 10 months ago

I added it because when running your ipynb, it requires me to install rdkit.