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Fix Protein initialisation #317 #318

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merged 50 commits into from
May 11, 2023
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176d884
add PSW to nonstandard residues
a-r-j Apr 17, 2023
fa89a37
improve insertion and non-standard residue handling
a-r-j Apr 17, 2023
9855b9b
refactor chain selection
a-r-j Apr 17, 2023
f143719
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Apr 17, 2023
3f3b3d9
remove unused verbosity arg
a-r-j Apr 17, 2023
09f05e5
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Apr 17, 2023
b7475df
fix chain selection in tests
a-r-j Apr 17, 2023
2e0a371
Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein …
a-r-j Apr 17, 2023
d2c1808
fix chain selection in tutorial notebook
a-r-j Apr 17, 2023
fc332c6
fix notebook chain selection
a-r-j Apr 17, 2023
4a67851
fix chain selection typehint
a-r-j Apr 17, 2023
5f648d2
Update changelog
a-r-j Apr 17, 2023
ab26d78
Add NLW to non-standard residues
a-r-j Apr 17, 2023
a449bba
Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein …
a-r-j Apr 17, 2023
afc0f8b
add .ent support
a-r-j Apr 20, 2023
258c94d
add entry for construction from dataframe
a-r-j Apr 20, 2023
c9856ae
add missing stage arg
a-r-j Apr 20, 2023
9e1191a
improve obsolete mapping retrieving to include entries with no replac…
a-r-j Apr 20, 2023
17c38ab
Merge branch 'master' into tensor_fixes
a-r-j Apr 20, 2023
7bf4ff3
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Apr 20, 2023
5af9e06
update changelog
a-r-j Apr 21, 2023
e00bdfb
add transforms to foldcomp datasets
a-r-j Apr 22, 2023
31018bc
fix jaxtyping syntax
a-r-j Apr 25, 2023
6e26455
Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein …
a-r-j Apr 25, 2023
3681714
Merge branch 'master' into tensor_fixes
a-r-j Apr 27, 2023
adbdbe1
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Apr 27, 2023
50ac31b
Update changelog
a-r-j Apr 27, 2023
088ae02
fix double application of transforms
a-r-j Apr 27, 2023
fb684af
improve foldcomp data loading performance
a-r-j May 1, 2023
a543a75
Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein …
a-r-j May 1, 2023
a00e2be
Merge branch 'master' into tensor_fixes
a-r-j May 1, 2023
ccf0437
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] May 1, 2023
7939a82
remove unused imports
a-r-j May 1, 2023
d72abf9
remove unused imports
a-r-j May 1, 2023
8b551c7
linting
a-r-j May 1, 2023
86bedcf
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] May 1, 2023
685d3db
Update changelog
a-r-j May 1, 2023
bebc3c4
add B factors to FC parsing output
a-r-j May 2, 2023
c973422
Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein …
a-r-j May 2, 2023
828af29
bugfix to alpha & kappa angle embedding
a-r-j May 7, 2023
c986df0
Merge branch 'master' into tensor_fixes
a-r-j May 7, 2023
6c48878
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] May 7, 2023
fc7657e
update changelog
a-r-j May 7, 2023
7192613
handle selenocysteine in sidechain torsion angle computation
a-r-j May 10, 2023
6a31729
Merge branch 'tensor_fixes' of https://www.github.com/a-r-j/graphein …
a-r-j May 10, 2023
84fc3e4
fix protein data object initialisation #317
a-r-j May 10, 2023
9dcc1c7
Merge branch 'master' into protein_obj
a-r-j May 10, 2023
f5d1f26
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] May 10, 2023
6269d25
restore eq dunder
a-r-j May 10, 2023
d96d60f
update changelog
a-r-j May 10, 2023
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Merge branch 'master' into tensor_fixes
  • Loading branch information
a-r-j authored Apr 20, 2023
commit 17c38ab2d525119a1fcaa1a6754f91ce1f8aeeb1

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