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BorgwardtLab
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proteinshake
Protein structure datasets for machine learning.
https://proteinshake.ai
BSD 3-Clause "New" or "Revised" License
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Make targets easily accessible for scaling
#125
timkucera
closed
1 year ago
4
pdb writer
#124
cgoliver
closed
1 year ago
0
dynamic release
#123
timkucera
closed
1 year ago
1
Include occupancy and b factor in the atom dictionary
#122
cgoliver
closed
1 year ago
1
atom type is actually residue type
#121
cgoliver
closed
1 year ago
1
Issue a warning when an existing dataset is loaded with different arguments
#120
timkucera
closed
1 year ago
1
contribution guide for datasets
#119
timkucera
closed
1 year ago
1
add scPDB binding sites
#118
cgoliver
opened
1 year ago
0
Implement simple surface representation
#117
cgoliver
closed
1 year ago
1
Compute structure and sequence-based splits for all tasks
#116
cgoliver
closed
1 year ago
1
Compute pairwise TM score for RCSBDataset
#115
cgoliver
closed
1 year ago
1
Only download single chain proteins in SCOP dataset
#114
timkucera
opened
1 year ago
0
AlphaFold permanent link for downloading old versions
#113
timkucera
opened
1 year ago
0
Scop dataset
#112
cgoliver
closed
1 year ago
1
remove TMalign
#111
timkucera
closed
2 years ago
0
Tmalign
#110
timkucera
closed
2 years ago
0
CI for tasks
#109
timkucera
closed
1 year ago
0
Matthew's correlation coefficient for evaluating binding site identification
#108
pjhartout
closed
2 years ago
3
Binding site task
#107
cgoliver
closed
2 years ago
0
create DUD-E dataset + task
#106
cgoliver
closed
1 year ago
1
create binding site prediction task
#105
cgoliver
closed
2 years ago
0
Ligand task fix
#104
cgoliver
closed
2 years ago
5
Compose
#103
timkucera
closed
2 years ago
0
custom compose
#102
timkucera
closed
2 years ago
1
fix pytorch version
#101
pjhartout
closed
2 years ago
0
Bug/fix pytorch version
#100
pjhartout
closed
2 years ago
0
Pipeline fails due to Segmentation Fault
#99
pjhartout
closed
2 years ago
2
add numpy support
#98
pjhartout
closed
2 years ago
2
Indexing
#97
timkucera
closed
2 years ago
0
Tasks api
#96
cgoliver
closed
2 years ago
0
add numpy support
#95
pjhartout
closed
2 years ago
1
Tasks api
#94
cgoliver
closed
2 years ago
0
add slicing support to pyg datasets
#93
cgoliver
closed
2 years ago
0
Frameworks2
#92
timkucera
closed
2 years ago
0
Streamline framework datasets
#91
timkucera
closed
2 years ago
0
Tasks api
#90
timkucera
closed
2 years ago
0
tasks API
#89
cgoliver
closed
2 years ago
1
Update Readme
#88
timkucera
closed
1 year ago
2
Add top-level imports
#87
pjhartout
closed
2 years ago
1
Type fixes for ligand data
#86
cgoliver
closed
2 years ago
0
Bug fix and new features for protein-ligand dataset
#85
cgoliver
closed
2 years ago
0
tokenizers for labels
#84
timkucera
closed
2 years ago
0
proper tokenizer for atoms
#83
timkucera
opened
2 years ago
0
on disk pyg dataset
#82
cgoliver
closed
2 years ago
2
create 'on-disk' versions of dataset
#81
cgoliver
closed
2 years ago
1
add atomic ppi interface annotations
#80
cgoliver
closed
2 years ago
0
Voxel
#79
timkucera
closed
2 years ago
4
Use checksums when downloading precomputed
#78
timkucera
opened
2 years ago
0
Add frameworks: tf, dgl, nx
#77
timkucera
closed
2 years ago
2
Sequence datasets?
#76
timkucera
closed
1 year ago
1
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