Research code supporting the publication “Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories”

1061 7 4945 4 25891 document 4945 code.zip application/zip da82c2875a9ae35d9ae31dd939a6357e MD5 4315217 2024-01-19 12:50:28 http://edata.bham.ac.uk/1061/1/code.zip 1061 1 2 application/zip archive public cc_by_4

code.zip

data 4946 3 25892 document 4946 code_v3.zip application/zip ea94edb69a2633c830b82c65a038e8b6 MD5 9485951 2024-02-10 23:01:24 http://edata.bham.ac.uk/1061/2/code_v3.zip 1061 2 1 application/zip archive public cc_by_4

code_v3.zip

data archive 222 disk0/00/00/10/61 2024-02-29 09:16:00 2024-02-29 09:16:00 2024-02-29 09:16:00 data_collection 1049 show duplicate_title_1055 duplicate_title Duplicate title to <a href="http://edata.bham.ac.uk/view/creators/Alexiadis=3AAlessio=3A=3A.html"><span class="person_name">Alexiadis, Alessio</span></a> (2024). <a href="http://edata.bham.ac.uk/cgi/users/home?screen=EPrint::View&eprintid=1055"><xhtml:em xmlns:xhtml="http://www.w3.org/1999/xhtml">Research code supporting the publication “Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories”.</xhtml:em></a> University of Birmingham. DataSet. <a href="https://doi.org/10.25500/edata.bham.00001049" target="_blank">https://doi.org/10.25500/edata.bham.00001049</a>. 2024-02-04 02:30:04 autoresolved duplicate_title_1049 duplicate_title Duplicate title to <a href="http://edata.bham.ac.uk/view/creators/Alexiadis=3AAlessio=3A=3A.html"><span class="person_name">Alexiadis, Alessio</span></a> (2024). <a href="http://edata.bham.ac.uk/cgi/users/home?screen=EPrint::View&eprintid=1049"><xhtml:em xmlns:xhtml="http://www.w3.org/1999/xhtml">Research code supporting the publication “Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories”.</xhtml:em></a> University of Birmingham. DataSet. <a href="https://doi.org/10.25500/edata.bham.00001049" target="_blank">https://doi.org/10.25500/edata.bham.00001049</a>. 2024-02-11 02:30:04 discovered 1 Alexiadis Alessio a.alexiadis@bham.ac.uk 0000-0001-9240-3517 Research code supporting the publication “Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories” 10col_ephy Physics-Informed Machine Learning, pytorch. Supplementary material for the manuscript 'Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories.' by Alessio Alexiadis. It contains four Jupyter notebooks used to carry out the calculations in the manuscript. They require pytorch. A README file is provided in the contents of the folder with details on the code use and Creative Commons license. 2024-01-23 published University of Birmingham https://doi.org/10.25500/edata.bham.00001049 Software research-data@contacts.bham.ac.uk School of Chemical Engineering na na na TRUE Alexiadis Alessio a.alexiadis@bham.ac.uk