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add ProteinsX dataset classes #204

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5d10045
add ProteinsX dataset classes
a-r-j Aug 2, 2022
9fc5931
black
a-r-j Aug 2, 2022
c6a09cd
update changelog
a-r-j Aug 2, 2022
4c12335
add missing self
a-r-j Aug 2, 2022
f43aa30
add missing importerror log
a-r-j Aug 2, 2022
5cdd865
use relative import for pyg dataset
a-r-j Aug 2, 2022
8329f9b
try changing import order in datasets init
a-r-j Aug 2, 2022
c928f11
wrap import in try/except
a-r-j Aug 2, 2022
8bb2c72
fix try/except - should be tuple
a-r-j Aug 2, 2022
9ccc4a1
add additional non-standard residues to constants
a-r-j Aug 2, 2022
c80d6bc
add pdb fixing utils and AF2 metadata download util
a-r-j Aug 6, 2022
f9f5c62
Merge branch 'pointclouds' of https://www.github.com/a-r-j/graphein i…
a-r-j Aug 6, 2022
1393a0e
add lru_cache to metadata retrieval
a-r-j Aug 6, 2022
b0944e0
add ProteinsDD dataset
a-r-j Aug 6, 2022
0ab8ed7
add deep sea proteins
a-r-j Aug 6, 2022
106220b
update readme
a-r-j Aug 6, 2022
f623f70
add negatome
a-r-j Aug 6, 2022
62eb5bf
add data combiner util
a-r-j Aug 6, 2022
baeb147
lru_cache typo
a-r-j Aug 6, 2022
956edbc
fix typehint in utils
a-r-j Aug 6, 2022
2db8ce2
try to fix docker bug by not importing prefab datasets
a-r-j Aug 6, 2022
5baad6a
add protein function
a-r-j Aug 6, 2022
d8b3774
remove travis
a-r-j Aug 6, 2022
735e569
fix input validation bug
a-r-j Aug 6, 2022
61e0c26
remove versioneer
a-r-j Aug 6, 2022
e41e438
clean up old contrib
a-r-j Aug 6, 2022
c268fa5
move contrib stuff to docs
a-r-j Aug 6, 2022
52035bd
rm rtd config
a-r-j Aug 6, 2022
bdcd750
rm gitattr
a-r-j Aug 6, 2022
8ae007b
rm versioneer
a-r-j Aug 6, 2022
157d79e
add CSM features
a-r-j Aug 6, 2022
e50b3d1
add new features to docs
a-r-j Aug 6, 2022
a0ca3cd
separate alphafold utils and add AF2 parallelised download
a-r-j Aug 6, 2022
af72a29
Merge branch 'master' into pointclouds
a-r-j Aug 8, 2022
fc88266
Merge branch 'master' into pointclouds
a-r-j Sep 19, 2022
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1 change: 0 additions & 1 deletion .gitattributes

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28 changes: 0 additions & 28 deletions .readthedocs.yml

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29 changes: 0 additions & 29 deletions .travis.yml

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6 changes: 6 additions & 0 deletions CHANGELOG.md
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@@ -1,3 +1,9 @@
### 1.5.3 - UNRELEASED

#### Protein

* [Feature] - [#204](https://github.com/a-r-j/graphein/pull/204) adds Pytorch Lightning DataModules for four built in datasets: `PROTEINS_LIGANDS`, `PROTEINS_NUCLEIC`, `PROTEINS_NUCLEOTIDES`, `PROTEINS_METAL`.

### 1.5.2 - 19/9/2022

#### Protein
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126 changes: 0 additions & 126 deletions contributing.md

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