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Recent Releases of proteinworkshop

proteinworkshop - v0.2.5

What's Changed

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

Full Changelog: https://github.com/a-r-j/ProteinWorkshop/compare/v0.2.4...v0.2.5

- Python
Published by a-r-j about 2 years ago

proteinworkshop - v0.2.4

What's Changed

  • Update checksums and fnames in download script #27 by @a-r-j in https://github.com/a-r-j/ProteinWorkshop/pull/28
  • Fix W&B run name setting by @chaitjo in https://github.com/a-r-j/ProteinWorkshop/pull/30
  • [fix] typo by @Croydon-Brixton in https://github.com/a-r-j/ProteinWorkshop/pull/31
  • Fix paths for new directory structure by @chaitjo in https://github.com/a-r-j/ProteinWorkshop/pull/32
  • Standardize poetry in README.md, and fix up docs by @amorehead in https://github.com/a-r-j/ProteinWorkshop/pull/35
  • Bump gitpython from 3.1.32 to 3.1.35 by @dependabot in https://github.com/a-r-j/ProteinWorkshop/pull/36
  • Release v0.2.4 by @a-r-j in https://github.com/a-r-j/ProteinWorkshop/pull/37

New Contributors

  • @dependabot made their first contribution in https://github.com/a-r-j/ProteinWorkshop/pull/36

Full Changelog: https://github.com/a-r-j/ProteinWorkshop/compare/v0.2.3...v0.2.4

- Python
Published by a-r-j over 2 years ago

proteinworkshop - v0.2.3

What's Changed

  • Fix small notebook typos by @amorehead in https://github.com/a-r-j/ProteinWorkshop/pull/26
  • Patch overwrite attributes in dataloaders by @a-r-j in https://github.com/a-r-j/ProteinWorkshop/pull/25

Full Changelog: https://github.com/a-r-j/ProteinWorkshop/compare/v0.2.2...v0.2.3

- Python
Published by a-r-j over 2 years ago

proteinworkshop - v0.2.2

  • 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

  • Raw files hotfix #23 by @a-r-j in https://github.com/a-r-j/ProteinWorkshop/pull/24

Full Changelog: https://github.com/a-r-j/ProteinWorkshop/compare/v0.2.1...v0.2.2

- Python
Published by a-r-j over 2 years ago

proteinworkshop - v0.2.1

What's Changed

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

Full Changelog: https://github.com/a-r-j/ProteinWorkshop/compare/v0.2.0...v0.2.1

- Python
Published by a-r-j over 2 years ago

proteinworkshop - v0.2.0

Initial public release with PyPI distribution and CLI.

- Python
Published by a-r-j over 2 years ago