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This repository was archived by the owner on Jun 30, 2026. It is now read-only.

Fix LRU cache for ray and update 'min_atoms' option

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@jlaw9 jlaw9 released this 03 Apr 22:16

The ray actors were failing to properly import the cython code in the lru-dict library. Kept giving the error AttributeError: type object 'LRU' has no attribute '__len__'. Switching to pylru (pure python) fixed the issues.

Also updated the builder and molecule state objects to respect the min_atoms parameter meaning no terminal state will be an available action until at least min_atoms heavy atoms are present in the molecule.