Augustin Zidek a8ecdb2d7a Cache the underlying CCD dictionary instead of the whole CCD object. ...

* Enables removal of the chemical_components.cached_ccd function.
* If there are multiple custom CCDs (tiny in comparison to the full CCD) in a single run, this will consume only O(1) RAM instead of O(num_inputs).

Addresses:
* https://github.com/google-deepmind/alphafold3/pull/514
* https://github.com/google-deepmind/alphafold3/issues/509
PiperOrigin-RevId: 804321599
Change-Id: I484f851ce79cd6b1c5c31bf70b6cd945791f8b66

2025-09-08 01:44:10 -07:00

9.4 KiB

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