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Releases: a-r-j/ProteinWorkshop

v0.2.5

29 Dec 14:17
99c6f81
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What's Changed

  • Improved TFN and MACE implementation by @chaitjo in #38
  • Reduce number of layers for TFN model by @chaitjo in #40
  • Add preliminary ESM baseline by @amorehead in #33
  • Add configs and optional post embedding MLP for ESM encoder by @chaitjo in #41
  • Bump gevent from 23.9.0.post1 to 23.9.1 by @dependabot in #42
  • Add fix for scheduler initialization with FoldComp datasets by @amorehead in #43
  • Update available encoders by @chaitjo in #46
  • Update sequence encoder title by @chaitjo in #47
  • Wire up argument for create_example_batch by @amorehead in #50
  • Add UMAP embedding visualisation script by @amorehead in #55
  • Fix tuple iteration in the ProteinDataset's process method by @amorehead in #52
  • Fix minor virtual angle feature documentation by @chaitjo in #63
  • Linting and updates by @a-r-j in #53
  • Version bump for 0.2.5 release by @a-r-j in #64
  • Fix orientation batching by @amorehead in #58

Full Changelog: v0.2.4...v0.2.5

v0.2.4

09 Sep 22:31
90f8530
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What's Changed

New Contributors

Full Changelog: v0.2.3...v0.2.4

v0.2.3

31 Aug 12:21
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Full Changelog: v0.2.2...v0.2.3

v0.2.2

30 Aug 12:47
ca0f770
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  • Fixes raw data download triggered by absence of PDB when using pre-processed datasets (#24)
  • Fixes bug where batches created from in_memory=True data were not correctly formatted (#24)
  • Consistently exposes the overwrite argument for datamodules to users (#24)
  • Fixes bug where downloading FoldComp datasets into directories with the same name as the dataset throws an error (#24)
  • Increments graphein dependency to 1.7.3 (#24)

What's Changed

Full Changelog: v0.2.1...v0.2.2

v0.2.1

29 Aug 17:30
07404a3
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What's Changed

  • Minor docs corrections by @a-r-j in #17
  • Add sanity check for CLI install by @a-r-j in #20
  • Add a simple hyperlink in the README to point to the GitHub repository by @amorehead in #21
  • Correct ENV var detection #18 by @a-r-j in #19
  • Bump version strings for 0.2.1 release by @a-r-j in #22

Full Changelog: v0.2.0...v0.2.1

v0.2.0

28 Aug 18:05
454d55a
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Initial public release with PyPI distribution and CLI.