epam / epam/Indigo

Investigate and prepare a short report on AttentiveFP (Attentive Fingerprint) and its application to cheminformatics

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Documentation ML Priority: High
Dominant language
C++
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406
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134
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2d 11h
Merged PRs (30d)
24

Description

Prepare a short report (for about 10-20 minutes) and short presentation about key idea of message passing neural networks and their application to cheminformatics.

Recommended sources:
* https://www.researchgate.net/publication/335156258_Pushing_the_boundaries_of_molecular_representation_for_drug_discovery_with_graph_attention_mechanism

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