Investigation of Machine Learning-based Coarse-Grained Mapping Schemes for Organic Molecules-Reference-Cited by-同舟云学术

Investigation of Machine Learning-based Coarse-Grained Mapping Schemes for Organic Molecules

Published:2022-09-07 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the 12th Hellenic Conference on Artificial Intelligence
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Author:

Nasikas Dimitris¹,Ricci Eleonora²,Giannakopoulos George³,Karkaletsis Vangelis⁴,Theodorou Doros N.⁵,Vergadou Niki⁶

Affiliation:

1. Institute of Nanoscience and Nanotechnology, National Centre for Scientific Research Demokritos, Greece and School of Chemical Engineering, National Technical University of Athens, Greece

2. Institute of Informatics and Telecommunication & Institute of Nanoscience and Nanotechnology, National Centre for Scientific Research Demokritos, Greece

3. Institute of Informatics and Telecommunication, National Centre for Scientific Research Demokritos, Greece and SciFY PNPC, Greece

4. Institute of Informatics and Telecommunication, National Centre for Scientific Research Demokritos, Greece

5. School of Chemical Engineering, National Technical University of Athens, Greece

6. Institute of Nanoscience and Nanotechnology, National Centre for Scientific Research Demokritos, Greece

Funder

European Commission

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3549737.3549792

Reference16 articles.

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2. Perspective: Coarse-grained models for biomolecular systems

3. Chemically specific coarse‐graining of polymers: Methods and prospects

4. Coarse-graining in simulations of multicomponent polymer systems

5. Diederik. P. Kingma and Max Welling . 2013 . Auto-Encoding Variational Bayes. arXiv Prepr . arXiv1312.6114 Diederik. P. Kingma and Max Welling. 2013. Auto-Encoding Variational Bayes. arXiv Prepr. arXiv1312.6114

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