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Dataloaders for example datasets
enhancement
New feature or request
#13
opened Jul 25, 2020 by
a-r-j
updated Jul 25, 2020
Refactor granularity kwarg in
protein.process_dataframe
#28
opened Dec 30, 2020 by
ericmjl
updated Dec 30, 2020
Extended featurisation options
enhancement
New feature or request
#12
opened Jul 25, 2020 by
a-r-j
updated Mar 15, 2021
1 of 6 tasks
YAML Configs for existing methods
enhancement
New feature or request
good first issue
Good for newcomers
help wanted
Extra attention is needed
#123
opened Mar 6, 2022 by
a-r-j
updated Mar 6, 2022
Plot distribution of 3D vectors
enhancement
New feature or request
help wanted
Extra attention is needed
#129
opened Mar 13, 2022 by
a-r-j
updated Mar 13, 2022
CLI support for graph transformation 'pipelines'
enhancement
New feature or request
#195
opened Jul 18, 2022 by
kamurani
updated Jul 22, 2022
Support for mmCIF Files
enhancement
New feature or request
help wanted
Extra attention is needed
#127
opened Mar 11, 2022 by
a-r-j
updated Aug 29, 2022
Using both local and downloaded PDBs in ML DataLoaders
enhancement
New feature or request
help wanted
Extra attention is needed
#210
opened Sep 16, 2022 by
a-r-j
updated Sep 16, 2022
ProteinGraphDataset
for pairs of proteins?
1 - Priority P1
#224
opened Oct 30, 2022 by
kamurani
updated Nov 2, 2022
doc need to be updated
0 - Priority P0
Highest priority
documentation
Improvements or additions to documentation
#207
opened Sep 8, 2022 by
1511878618
updated Nov 2, 2022
Networkx to pyg conversion loses track or edge features
#217
opened Oct 18, 2022 by
manonreau
updated Nov 28, 2022
Switch to PyDSSP
2 - Priority P2
Medium priority
dependencies
Pull requests that update a dependency file
enhancement
New feature or request
good first issue
Good for newcomers
#243
opened Dec 3, 2022 by
a-r-j
updated Dec 3, 2022
Add extras flag for optional imports
1 - Priority P1
High Priority
dependencies
Pull requests that update a dependency file
enhancement
New feature or request
good first issue
Good for newcomers
#248
opened Dec 18, 2022 by
a-r-j
updated Dec 18, 2022
Use MOL2 file in graphein.protein.graphs.construct_graph
enhancement
New feature or request
help wanted
Extra attention is needed
#259
opened Feb 1, 2023 by
KevinCrp
updated Feb 1, 2023
Protein Engineering
enhancement
New feature or request
good first issue
Good for newcomers
help wanted
Extra attention is needed
#252
opened Jan 24, 2023 by
NAEV95
updated Feb 19, 2023
LMDB Support for FoldComp databases.
enhancement
New feature or request
help wanted
Extra attention is needed
ML
#286
opened Mar 27, 2023 by
a-r-j
updated Mar 27, 2023
Support for torch 2.0 docker images
dependencies
Pull requests that update a dependency file
#290
opened Mar 31, 2023 by
a-r-j
updated Mar 31, 2023
Protein-Ligand Interaction Graphs
enhancement
New feature or request
help wanted
Extra attention is needed
#162
opened Apr 20, 2022 by
a-r-j
updated Aug 23, 2023
graphein.protein.edges.distance.add_distance_threshold
should allow computing distance by "any to any" atomistic even with "residue" granularity set
#342
opened Sep 13, 2023 by
kamurani
updated Sep 13, 2023
[Docs] API Reference for
graphein.ml
is broken
#344
opened Sep 19, 2023 by
kamurani
updated Sep 19, 2023
ProteinGraphDataset
fails if a single graph construction fails.
#345
opened Sep 20, 2023 by
kamurani
updated Sep 20, 2023
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