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A collection of research papers and software related to explainability in graph machine learning.
2k
137
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Python
790
101
A general purpose recommender metrics library for fair evaluation.
Python
277
24
The official implementation of the paper, "SubTab: Subsetting Features of Tabular Data for Self-Supervised Representation Learning"
Python
149
22
OntoMerger is an ontology alignment library for deduplicating knowledge graph nodes that represent the same domain.
HTML
103
6
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
Python
117
11
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Showing 10 of 115 repositories
AstraZeneca/persist-seq-galaxy-tools-setup's past year of commit activity
Python
0
0
0
1
Updated Nov 12, 2026
AstraZeneca/data-science-python-course's past year of commit activity
Jupyter Notebook
27
Apache-2.0
19
0
0
Updated Nov 11, 2026
AstraZeneca/CAST-AbAg's past year of commit activity
Python
0
Apache-2.0
0
0
5
Updated Oct 31, 2026
GenCDR
Public
Generative antibody language models for framework-conditioned CDR design, scoring, and preference-based alignment.
AstraZeneca/GenCDR's past year of commit activity
Python
15
Apache-2.0
2
0
0
Updated Oct 25, 2026
AstraZeneca/atropisomers_workflow's past year of commit activity
Jupyter Notebook
2
Apache-2.0
1
1
2
Updated Oct 15, 2026
AstraZeneca/uffpsim's past year of commit activity
C++
1
MIT
1
0
0
Updated Oct 11, 2026
mosses
Public
Toolkit for analysing molecular property predictive models.
AstraZeneca/mosses's past year of commit activity
Python
2
Apache-2.0
1
0
0
Updated Oct 9, 2026
awesome-drug-pair-scoring
Public
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
AstraZeneca/awesome-drug-pair-scoring's past year of commit activity
102
Apache-2.0
17
0
0
Updated Oct 6, 2026
KAZU
Public
Fast, world class biomedical NER
AstraZeneca/KAZU's past year of commit activity
Python
92
Apache-2.0
9
26
8
Updated Sep 25, 2026
AstraZeneca/cds-dsi-pioneer-manuscript-2026's past year of commit activity
R
1
Apache-2.0
0
0
0
Updated Sep 10, 2026
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