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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
700
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89
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How to retrieve the drug name?
#110
HelloWorldLTY
opened
2 weeks ago
0
Performance bug of deepsynergy, deepdds and matchmaker on DrugBankDDI
#109
wjxts
opened
7 months ago
0
Fix Read The Docs builds
#108
mughetto
closed
9 months ago
0
Fix ci
#107
kajocina
closed
1 year ago
0
fix compatibility with torch drug
#106
avi-pomicell
closed
1 year ago
4
Is this repo dead? Improve communication of its status
#105
cthoyt
opened
1 year ago
2
Inconsistent labels in DrugCombDB
#104
cshukai
closed
1 year ago
0
Update README and pin torchdrug to 0.1.2
#103
cthoyt
closed
1 year ago
1
Incorporate various dataset splits
#102
jasperhyp
opened
2 years ago
1
How are the methods implemented outside of the domain they are designed for?
#101
jasperhyp
opened
2 years ago
1
KeyError: 'node_feature' from running deepdds_example.py
#100
cshukai
closed
1 year ago
7
Conduct e-mail removal
#99
benedekrozemberczki
closed
2 years ago
0
Typo within documentation
#98
bliutech
closed
2 years ago
0
Documentation: Typo Fix
#97
bliutech
closed
2 years ago
3
Tensor's device mismatch
#96
hzcheney
opened
2 years ago
3
Code of Conduct
#95
benedekrozemberczki
closed
2 years ago
2
Pipeline - Unexpected Labels
#94
RetrosynthesisAI
closed
2 years ago
0
'LabeledTriples' object is not iterable
#93
aminemosbah
closed
2 years ago
2
Quick fixes
#92
benedekrozemberczki
closed
2 years ago
0
Tutorial quick fix - loader
#91
benedekrozemberczki
closed
2 years ago
0
ChemicalX Tutorials are not working
#90
RetrosynthesisAI
closed
2 years ago
4
Introduction and Tutorial
#89
benedekrozemberczki
closed
2 years ago
1
Update contributing, testing and add documentation intro.
#88
benedekrozemberczki
closed
2 years ago
1
Add arXiv citation
#87
cthoyt
closed
2 years ago
1
Add simple GPU support to `chemicalx.pipeline()`
#86
cthoyt
closed
2 years ago
3
New release updates, citation modification and correcting paper references
#85
benedekrozemberczki
closed
2 years ago
0
Add compatibility layer for `PackedGraph`
#84
cthoyt
closed
2 years ago
6
Clean up models and provide abstractions
#83
cthoyt
closed
2 years ago
2
MRGNN Implementation
#82
benedekrozemberczki
closed
2 years ago
0
Change DeepDDS and CASTER defaults and remove DeepDDS Softmax bug
#81
benedekrozemberczki
closed
2 years ago
0
Move back the BatchGenerator to the data namespace.
#80
benedekrozemberczki
closed
2 years ago
0
BatchGenerator move back to name space
#79
benedekrozemberczki
closed
2 years ago
2
DeepDDS Softmax bug
#78
benedekrozemberczki
closed
2 years ago
0
Implement SSIDDI
#77
YuWVandy
closed
2 years ago
2
Add multi-GPU support with `accelerate`
#76
GavEdwards
closed
2 years ago
8
Vectorize segments
#75
benedekrozemberczki
closed
2 years ago
1
MHCADDI model
#74
sebastiandro
closed
2 years ago
6
CASTER layer implementation
#73
andriy-nikolov
closed
2 years ago
4
Update citations and add additional testing
#72
cthoyt
closed
2 years ago
0
Add GCN-BMP
#71
mughetto
closed
2 years ago
4
Standardize documentation style with `darglint`
#70
cthoyt
closed
2 years ago
1
Simplify existing models
#69
cthoyt
closed
2 years ago
1
Implement DeepDrug model
#68
kajocina
closed
2 years ago
8
Implement MatchMaker model
#67
andrejlamov
closed
2 years ago
3
Black update conformity
#66
benedekrozemberczki
closed
2 years ago
2
GPU Transfer
#65
benedekrozemberczki
closed
2 years ago
3
Remove check box that's automated with CI
#64
cthoyt
closed
2 years ago
2
Implement DeepDDI model
#63
hzcheney
closed
2 years ago
11
Simplify installation
#62
cthoyt
closed
9 months ago
1
Add additional datasets
#61
cthoyt
closed
2 years ago
2
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