{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/panna-properties-from-artificial-neural","title":"PANNA: Properties from Artificial Neural Network Architectures","arxiv_id":"1907.03055","date":"2019-07-06","proceeding":null,"authors":["Ruggero Lot","Franco Pellegrini","Yusuf Shaidu","Emine Kucukbenli"],"abstract":"Prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low computational cost by leveraging existing example data. Here, we present a software package \"Properties from Artificial Neural Network Architectures\" (PANNA) that provides a comprehensive toolkit for creating neural network models for atomistic systems. Besides the core routines for neural network training, it includes data parser, descriptor builder and force-field generator suitable for integration within molecular dynamics packages. PANNA offers a variety of activation and cost functions, regularization methods, as well as the possibility of using fully-connected networks with custom size for each atomic species. PANNA benefits from the optimization and hardware-flexibility of the underlying TensorFlow engine which allows it to be used on multiple CPU/GPU/TPU systems, making it possible to develop and optimize neural network models based on large datasets.","url_abs":"https://arxiv.org/abs/1907.03055v1","url_pdf":"https://arxiv.org/pdf/1907.03055v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"panna-properties-from-artificial-neural","repo_url":"https://gitlab.com/pannadevs/panna","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"tf","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"syntology_url":null,"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}