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rdkit / mmpdb

A package to identify matched molecular pairs and use them to predict property changes.
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Compatibility with Python 3.10 #55

Closed stevenshave closed 1 year ago

stevenshave commented 1 year ago

I was unable to use SQLite functionality of mmpdb in Python 3.10 due to removal of the deprecated Callable from collections. This pull request adds a try except block to first attempt import of Callable from collections.abc, and if not present, falls back on the older Callable in collections for earlier versions of Python.

adalke commented 1 year ago

Hi @stevenshave . I think it's best you work against the 3.0 branch. I made a pull request last week to make it mainline, at https://github.com/rdkit/mmpdb/pull/53 , but haven't followed up with @KramerChristian about accepting the pull.

stevenshave commented 1 year ago

Ah I see. I will start to use the v3-dev branch from adalke/mmpdb.

Many thanks!