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AstraZeneca
/
chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
https://chemicalx.readthedocs.io
Apache License 2.0
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Correct the shapes
#60
benedekrozemberczki
closed
2 years ago
1
Provide base class for dataset loaders
#59
cthoyt
closed
2 years ago
6
Make dataset loaders on-the-fly
#58
cthoyt
opened
2 years ago
0
Clean up DrugBank and TWOSIDES importers
#57
cthoyt
closed
2 years ago
1
ChemicalX 0.0.9 Release
#56
benedekrozemberczki
closed
2 years ago
0
Clean up feature sets and labels flag
#55
cthoyt
closed
2 years ago
2
Reorganize batching
#54
cthoyt
closed
2 years ago
1
Implement DeepDDS
#53
kkaris
closed
2 years ago
7
Expose dataset properties
#52
cthoyt
closed
2 years ago
2
Fix unit tests for DDI and TwoSides
#51
benedekrozemberczki
closed
2 years ago
1
Add the DrugComb and DrugCombDB data cleaning
#50
benedekrozemberczki
opened
2 years ago
2
Upload DrugBank DDI and TwoSides datasets in preliminary commit
#49
benedekrozemberczki
closed
2 years ago
0
Adding DrugBank DDI and Two Sides.
#48
benedekrozemberczki
closed
2 years ago
10
Batch Generator Defaults
#47
benedekrozemberczki
closed
2 years ago
2
Add additional model tests
#46
cthoyt
closed
2 years ago
1
Update README python code comments and remove DeepCCI
#45
benedekrozemberczki
closed
2 years ago
0
Update CI
#44
cthoyt
closed
2 years ago
3
DeepCCI removal and out channel parameters
#43
benedekrozemberczki
closed
2 years ago
3
Rtd mock fix
#42
benedekrozemberczki
closed
2 years ago
1
Adding the autodoc hinting
#41
benedekrozemberczki
closed
2 years ago
0
Adding Default Read The Docs Path
#40
benedekrozemberczki
closed
2 years ago
0
Read the docs deployment fix.
#39
benedekrozemberczki
closed
2 years ago
3
Update documentation build
#38
cthoyt
closed
2 years ago
2
Add the TWOSIDES dataset with molecular features
#37
benedekrozemberczki
closed
2 years ago
1
Remove DPDDI and AUDNNSynergy
#36
benedekrozemberczki
closed
2 years ago
0
Add more flake8 checks
#35
cthoyt
closed
2 years ago
3
Add the AUDNNSynergy model
#34
cthoyt
closed
2 years ago
1
Cleanup testing configuration
#33
cthoyt
closed
2 years ago
1
Add unified training and evaluation pipeline
#32
cthoyt
closed
2 years ago
4
Remove circular imports
#31
benedekrozemberczki
closed
2 years ago
0
Data resolver tests
#30
benedekrozemberczki
closed
2 years ago
2
Bump Version 0.0.8
#29
benedekrozemberczki
closed
2 years ago
0
Add the DDI Dataset from DeepDDI
#28
benedekrozemberczki
closed
2 years ago
1
Implement DeepSynergy and EPGCN-DS models
#27
benedekrozemberczki
closed
2 years ago
1
Re-enable flake8 check
#26
cthoyt
closed
2 years ago
1
Code quality assurance
#25
cthoyt
closed
2 years ago
4
Add dataset resolver around dataset loader class
#24
cthoyt
closed
2 years ago
1
Add the MatchMaker model
#23
cthoyt
closed
2 years ago
0
Add the EPGCNDS model
#22
cthoyt
closed
2 years ago
2
Add the GCNBMP model
#21
cthoyt
closed
2 years ago
2
Add the DPDDI model
#20
cthoyt
closed
2 years ago
1
Add the DeepDDS model
#19
cthoyt
closed
2 years ago
6
Add base model and implement model class resolution
#18
cthoyt
closed
2 years ago
1
Add the CASTER model
#17
benedekrozemberczki
closed
2 years ago
1
Add the DeepSynergy model
#16
benedekrozemberczki
closed
2 years ago
0
Add the CASTER model
#15
benedekrozemberczki
closed
2 years ago
0
Add the DeepDrug Model
#14
benedekrozemberczki
closed
2 years ago
0
Add the MHCADDI model
#13
benedekrozemberczki
closed
2 years ago
0
Add the MR-GNN model
#12
benedekrozemberczki
closed
2 years ago
4
Add the SSI-DDI Model
#11
benedekrozemberczki
closed
2 years ago
10
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