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Store temp x attr in FoldComp examples to ensure correct batching. #319

Merged
merged 52 commits into from
May 19, 2023
Merged

Store temp x attr in FoldComp examples to ensure correct batching. #319

merged 52 commits into from
May 19, 2023

Commits on Apr 17, 2023

  1. add PSW to nonstandard residues

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  2. improve insertion and non-standard residue handling

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  3. refactor chain selection

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  5. remove unused verbosity arg

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  7. fix chain selection in tests

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  8. Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein … 

    …into tensor_fixes
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  9. fix chain selection in tutorial notebook

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  10. fix notebook chain selection

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    a-r-j committed Apr 17, 2023
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  11. fix chain selection typehint

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  12. Update changelog

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  13. Add NLW to non-standard residues

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  14. Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein … 

    …into tensor_fixes
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Commits on Apr 20, 2023

  1. add .ent support

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  2. add entry for construction from dataframe

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    a-r-j committed Apr 20, 2023
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  3. add missing stage arg

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    a-r-j committed Apr 20, 2023
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  4. improve obsolete mapping retrieving to include entries with no replac… 

    …ement
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  5. Merge branch 'master' into tensor_fixes

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Commits on Apr 21, 2023

  1. update changelog

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Commits on Apr 22, 2023

  1. add transforms to foldcomp datasets

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    a-r-j committed Apr 22, 2023
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Commits on Apr 25, 2023

  1. fix jaxtyping syntax

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  2. Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein … 

    …into tensor_fixes
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    a-r-j committed Apr 25, 2023
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Commits on Apr 27, 2023

  1. Merge branch 'master' into tensor_fixes

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  3. Update changelog

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  4. fix double application of transforms

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    a-r-j committed Apr 27, 2023
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Commits on May 1, 2023

  1. improve foldcomp data loading performance

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  2. Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein … 

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  3. Merge branch 'master' into tensor_fixes

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  5. remove unused imports

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    a-r-j committed May 1, 2023
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  6. remove unused imports

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  7. linting

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  9. Update changelog

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Commits on May 2, 2023

  1. add B factors to FC parsing output

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  2. Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein … 

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Commits on May 7, 2023

  1. bugfix to alpha & kappa angle embedding

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  2. Merge branch 'master' into tensor_fixes

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  4. update changelog

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Commits on May 10, 2023

  1. handle selenocysteine in sidechain torsion angle computation

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  2. Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein … 

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  3. fix protein data object initialisation #317

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  4. Merge branch 'master' into protein_obj

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  6. restore eq dunder

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    a-r-j committed May 10, 2023
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  7. update changelog

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Commits on May 19, 2023

  1. add x to foldcomp examples for correct batching

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  2. Merge branch 'protein_obj' of https://www.github.com/a-r-j/graphein i… 

    …nto protein_obj
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