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LigandMPNN Test Suite #62

Merged
merged 28 commits into from
Dec 2, 2024
Merged

LigandMPNN Test Suite #62

merged 28 commits into from
Dec 2, 2024

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zachcp
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@zachcp zachcp commented Dec 2, 2024

  • note: inherits LigandMPNN Test Suite #59 which I got snarled in a rebase.
  • Now that I have Metal working, tests run in a reasonable time.
  • I am aiming to implement a respectable set of the LiganmdMPNN Feature set as defined by this test set
  • Master tracking issue here
  • Might go a bit slow at first as all of the I/O for writing fasta/PDBs needs to be fleshed out.

@zachcp zachcp marked this pull request as ready for review December 2, 2024 21:52
@zachcp zachcp mentioned this pull request Dec 2, 2024
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@zachcp zachcp merged commit aa2d4b5 into main Dec 2, 2024
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@zachcp zachcp deleted the 20241202-testssuite2 branch December 2, 2024 22:04
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