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Supports SMILES import, also ships [extra-formats] - #1176
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BradyAJohnston wants to merge 3 commits into
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BradyAJohnston wants to merge 3 commits into
BradyAJohnston wants to merge 3 commits into
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BradyAJohnston
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Fixes #1115 by adding import option and
mn.Molecule.from_smiles().To enable we have to ship
rdkit, also now shipmdanalysis[extra-formats]so we can import other formats as well.Bumps the
.zipsizes by ~70-80MB which does push the linux version over 200 MB which is definitely not ideal.Still unsure if I actually want to go ahead with this. The minimal thing to enable
rdkitwould be +~30MB.