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This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and…

Biomolecules · Quantitative Biology 2025-04-04 Rommie Amaro , Johan Åqvist , Ivet Bahar , Federica Battistini , Adam Bellaiche , Daniel Beltran , Philip C. Biggin , Massimiliano Bonomi , Gregory R. Bowman , Richard Bryce , Giovanni Bussi , Paolo Carloni , David Case , Andrea Cavalli , Chie-En A. Chang , Thomas E. Cheatham , Margaret S. Cheung , Cris Chipot , Lillian T. Chong , Preeti Choudhary , Gerardo Andres Cisneros , Cecilia Clementi , Rosana Collepardo-Guevara , Peter Coveney , Roberto Covino , T. Daniel Crawford , Matteo Dal Peraro , Bert de Groot , Lucie Delemotte , Marco De Vivo , Jonathan Essex , Franca Fraternali , Jiali Gao , Josep Lluís Gelpí , Francesco Luigi Gervasio , Fernando Danilo Gonzalez-Nilo , Helmut Grubmüller , Marina Guenza , Horacio V. Guzman , Sarah Harris , Teresa Head-Gordon , Rigoberto Hernandez , Adam Hospital , Niu Huang , Xuhui Huang , Gerhard Hummer , Javier Iglesias-Fernández , Jan H. Jensen , Shantenu Jha , Wanting Jiao , William L. Jorgensen , Shina Caroline Lynn Kamerlin , Syma Khalid , Charles Laughton , Michael Levitt , Vittorio Limongelli , Erik Lindahl , Kresten Lindorff-Larsen , Sharon Loverde , Magnus Lundborg , Yun Lyna Luo , Francisco Javier Luque , Charlotte I. Lynch , Alexander MacKerell , Alessandra Magistrato , Siewert J. Marrink , Hugh Martin , J. Andrew McCammon , Kenneth Merz , Vicent Moliner , Adrian Mulholland , Sohail Murad , Athi N. Naganathan , Shikha Nangia , Frank Noe , Agnes Noy , Julianna Oláh , Megan O'Mara , Mary Jo Ondrechen , José N. Onuchic , Alexey Onufriev , Silvia Osuna , Anna R. Panchenko , Sergio Pantano , Carol Parish , Michele Parrinello , Alberto Perez , Tomas Perez-Acle , Juan R. Perilla , B. Montgomery Pettitt , Adriana Pietropalo , Jean-Philip Piquemal , Adolfo Poma , Matej Praprotnik , Maria J. Ramos , Pengyu Ren , Nathalie Reuter , Adrian Roitberg , Edina Rosta , Carme Rovira , Benoit Roux , Ursula Röthlisberger , Karissa Y. Sanbonmatsu , Tamar Schlick , Alexey K. Shaytan , Carlos Simmerling , Jeremy C. Smith , Yuji Sugita , Katarzyna Świderek , Makoto Taiji , Peng Tao , D. Peter Tieleman , Irina G. Tikhonova , Julian Tirado-Rives , Inaki Tunón , Marc W. Van Der Kamp , David Van der Spoel , Sameer Velankar , Gregory A. Voth , Rebecca Wade , Ariel Warshel , Valerie Vaissier Welborn , Stacey Wetmore , Travis J. Wheeler , Chung F. Wong , Lee-Wei Yang , Martin Zacharias , Modesto Orozco

Despite much creative work on methods and tools, reproducibility -- the ability to repeat the computational steps used to obtain a research result -- remains elusive. One reason for these difficulties is that extant tools for capturing…

Software Engineering · Computer Science 2022-08-30 Ian Foster , Carl Kesselman

FAIR data presupposes their successful communication between machines and humans while preserving their meaning and reference, requiring all parties involved to share the same background knowledge. Inspired by English as a natural language,…

Databases · Computer Science 2025-04-29 Lars Vogt , Philip Strömert , Nicolas Matentzoglu , Naouel Karam , Marcel Konrad , Manuel Prinz , Roman Baum

Small to medium-scale data science experiments often rely on research software developed ad-hoc by individual scientists or small teams. Often there is no time to make the research software fast, reusable, and open access. The consequence…

Software Engineering · Computer Science 2022-11-10 Moritz Schubotz , Ankit Satpute , Andre Greiner-Petter , Akiko Aizawa , Bela Gipp

We highlight here several solutions developed to make high-level Cherenkov data FAIR: Findable, Accessible, Interoperable and Reusable. The first three FAIR principles may be ensured by properly indexing the data and using community…

Information Theory · Computer Science 2022-01-11 Mathieu Servillat , Catherine Boisson , Matthias Fuessling , Bruno Khelifi

The FAIR principles are globally accepted guidelines for improved data management practices with the potential to align data spaces on a global scale. In practice, this is only marginally achieved through the different ways in which…

Databases · Computer Science 2025-05-15 Nicolas Blumenroehr , Philipp-Joachim Ost , Felix Kraus , Achim Streit

We discuss important aspects of HCI research regarding Research Data Management (RDM) to achieve better publication processes and higher reuse of HCI research results. Various context elements of RDM for HCI are discussed, including…

Human-Computer Interaction · Computer Science 2025-02-03 David Goedicke , Mark Colley , Sebastian S. Feger , Michael Goedicke , Bastian Pfleging , Wendy Ju

The ability to find data is central to the FAIR principles underlying research data stewardship. As with the ability to reuse data, efforts to ensure and enhance findability have historically focused on discoverability of data by other…

Digital Libraries · Computer Science 2026-02-02 Bryan M. Gee

Data-intensive science communities are progressively adopting FAIR practices that enhance the visibility of scientific breakthroughs and enable reuse. At the core of this movement, research objects contain and describe scientific…

The multi-label classification (MLC) task has increasingly been receiving interest from the machine learning (ML) community, as evidenced by the growing number of papers and methods that appear in the literature. Hence, ensuring proper,…

Machine Learning · Computer Science 2022-11-24 Ana Kostovska , Jasmin Bogatinovski , Andrej Treven , Sašo Džeroski , Dragi Kocev , Panče Panov

Since their proposal in 2016, the FAIR principles have been largely discussed by different communities and initiatives involved in the development of infrastructures to enhance support for data findability, accessibility, interoperability,…

According to the FAIR (findability, accessibility, interoperability, and reusability) principles, scientific data should always be stored with machine-readable descriptive metadata. Existing solutions to store data with metadata, such as…

Databases · Computer Science 2024-09-12 Albert K. Engstfeld , Johannes M. Hermann , Nicolas G. Hörmann , Julian Rüth

With the emerging needs of creating fairness-aware solutions for search and recommendation systems, a daunting challenge exists of evaluating such solutions. While many of the traditional information retrieval (IR) metrics can capture the…

Information Retrieval · Computer Science 2022-03-31 Ruoyuan Gao , Yingqiang Ge , Chirag Shah

In the age of big data, it is important for primary research data to follow the FAIR principles of findability, accessibility, interoperability, and reusability. Data harmonization enhances interoperability and reusability by aligning…

Databases · Computer Science 2025-03-26 Jimmy K. Yu , Marcos Martínez-Romero , Matthew Horridge , Mete U. Akdogan , Mark A. Musen

We developed a system to run quick analyses of Cherenkov data in compliance with the FAIR Guiding Principles for scientific data management (FAIR: Findable, Accessible, Interoperable and Reusable), through the use of interoperability…

Instrumentation and Methods for Astrophysics · Physics 2023-01-11 Mathieu Servillat , Paula Kornecki , Catherine Boisson

The sharing and citation of research data is becoming increasingly recognized as an essential building block in scientific research across various fields and disciplines. Sharing research data allows other researchers to reproduce results,…

Digital Libraries · Computer Science 2023-09-22 Tim Conrad , Eloi Ferrer , Daniel Mietchen , Larissa Pusch , Johannes Stegmuller , Moritz Schubotz

Data sharing is a necessity for innovative progress in many domains, especially in healthcare. However, the ability to share data is hindered by regulations protecting the privacy of natural persons. Synthetic tabular data provide a…

Machine Learning · Computer Science 2025-07-17 Tobias Hyrup , Anton Danholt Lautrup , Arthur Zimek , Peter Schneider-Kamp

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration…

Computational Engineering, Finance, and Science · Computer Science 2025-01-07 Sheeba Samuel , Daniel Mietchen

Many research groups aspire to make data and code FAIR and reproducible, yet struggle because the data and code life cycles are disconnected, executable environments are often missing from published work, and technical skill requirements…

The availability of open data and of tools to create visualizations on top of these open datasets have led to an ever-growing amount of geovisualizations on the Web. There is thus an increasing need for techniques to make geovisualizations…

Information Retrieval · Computer Science 2021-11-16 Auriol Degbelo