Comments (3)
maclandrol
commented on August 16, 2024
Half of the function there (all_* and some of the compute) are used for navigating the chemical space around a given molecule (would be called from some evolutionary/RL algorithms or random sampling).
I would keep the other half as they provide shortcut for performing not necessary trivial operation like adding/removing atom/bonds for first users.
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hadim
commented on August 16, 2024
Ok. Let's keep it then (I couldn't find any hits when searching for dm.actions on the platform GH org).
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maclandrol
commented on August 16, 2024
they are still in moms, that's why. I have never completed the full refactoring, but probably the weekend.
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Related Issues (20)
- Documentation link on google is wrong HOT 4
- I just want to say thanks HOT 2
- Test and check compatibility with RDKit 2023.03.1 HOT 1
- Failed to access to GCP bucket HOT 5
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- Better doc release process + get rid of rever
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