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a8ecdb2d7a
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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
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2025-09-08 01:44:10 -07:00 |
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6a34fea9a2
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Remove unnecessary dependency on structure test_utils
PiperOrigin-RevId: 765132514
Change-Id: Ia1acdf55267083741c294864792f25009f5f4542
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2025-05-30 04:25:22 -07:00 |
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a5c1185367
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Fix token chain IDs to be the same as the input chain IDs and add a test
PiperOrigin-RevId: 719296728
Change-Id: I2f8ec7091276b4a2f8bec0b69995d4c3cb16e69d
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2025-01-24 15:45:04 +00:00 |
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5c0379ccd8
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Do not test ref_pos which depends on a specific RDKit version
PiperOrigin-RevId: 716300884
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2025-01-16 19:04:20 +00:00 |
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08acc50094
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Include 4 templates in end-to-end tests
PiperOrigin-RevId: 702366158
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2024-12-03 17:28:09 +00:00 |
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718cbfc0c9
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Split out the data pipeline test
PiperOrigin-RevId: 700695646
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2024-11-28 13:46:31 +00:00 |
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