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volkamerlab / teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
https://projects.volkamerlab.org/teachopencadd
Creative Commons Attribution 4.0 International
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[DL Edition] Add datamol dependency #339

Closed mbackenkoehler closed 1 year ago

mbackenkoehler commented 1 year ago

Add datamol from channel conda-forge to the environment. This is needed in the molecular description talktorial T033.

mbackenkoehler commented 1 year ago

@gerritgr Have you found another solution?

AndreaVolkamer commented 1 year ago

@mbackenkoehler I did suggest a version without the datamol dependency: PR https://github.com/volkamerlab/teachopencadd/pull/351 [Note: I broke the notebook while solving merge conflicts, I still need to fix this)

mbackenkoehler commented 1 year ago

Solved by #351