Persistent Dirac for molecular representation

Molecular representations are of fundamental importance for the modeling and analysing molecular systems. The successes in drug design and materials discovery have been greatly contributed by molecular representation models. In this paper, we present a computational framework for molecular represent...

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Bibliographic Details
Main Authors: Wee, Junjie, Bianconi, Ginestra, Xia, Kelin
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2023
Subjects:
Online Access:https://hdl.handle.net/10356/171550
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Institution: Nanyang Technological University
Language: English