This report serves as an update on the progress of WP3 Task 3.4 in ELIXIR3, in support of curation efforts on content in repositories of metadata, datasets, tools, training, workflows, and other resources, in line with the ELIXIR Platforms. The report documents progress made, methods used, and plans for the near future as of month 18 of a 48-month timeline. ELIXIR Norway extends support to numerous ...

The <i>Dalton Project</i> provides a uniform platform access to the underlying full-fledged quantum chemistry codes Dalton and LSDalton as well as the PyFraME package for automatized fragmentation and parameterization of complex molecular environments. The platform is written in Python and defines a means for library communication and interaction. Intermediate data such as integrals are exposed to ...

The need to characterise in-service damage in composite structures is increasingly becoming important as composites find higher utilisation in wind turbines, aerospace, automotive, marine, among others. This paper investigates the feasibility of simplifying the conventional acousto-ultrasonic technique set-up for quick and economic one-sided in-service inspection of composite structures. Acousto-ultrasonic ...

DaoCron is a service which enables users to schedule tasks periodically. The Distributed Arctic Observatory (DAO) aims to improve the data collection from the arctic tundra using Observation Units (OUs). These OUs are given a set of tasks which they are expected to schedule at certain intervals. In order to schedule these tasks at certain time-intervals one can make use of Cron, which is a tool for ...

We report the structures and properties of the cyanide complexes of three superheavy elements (darmstadtium, roentgenium, and copernicium) studied using two‐ and four‐component relativistic methodologies. The electronic and structural properties of these complexes are compared to the corresponding complexes of platinum, gold, and mercury. The results indicate that these superheavy elements form ...

<p>Nudge principles and techniques are significant in communications, marketing, and groups’ motivation to improve personal health, wealth, and well-being. We make numerous decisions in online situations. People’s health and well-being have garnered widespread interest and concern in this wearable’s age. Smart nudging is defined as “digital nudging, where the guidance of user behavior is tailored ...

New digital technologies like activity trackers, nudge concepts, and approaches can inspire and improve personal health. There is increasing interest in employing such devices to monitor people’s health and well-being. These devices can continually gather and examine health-related information from people and groups in their familiar surroundings. Context-aware nudges can assist people in self-managing ...

Nudge principles and techniques can motivate and improve personal health through emerging digital devices, such as activity trackers. Tracking people's health and well-being using such devices have earned widespread interest. These devices can continuously capture and analyze health-related data from individuals and communities in their everyday environment. Providing context-aware nudges can help ...

Drug design of protein kinase inhibitors is now greatly enabled by thousands of publicly available X-ray structures, extensive ligand binding data, and optimized scaffolds coming off patent. The extensive data begin to enable design against a spectrum of targets (polypharmacology); however, the data also reveal heterogeneities of structure, subtleties of chemical interactions, and apparent inconsistencies ...

Bioinformatics has seen an extreme data growth in later years due to the reduction in cost per megabase of sequencing, which today is around 1/400,000th of the cost in 2001. This reduction in cost enables new types of studies, such as searching for novel enzymes in marine environments using metagenomic approaches. However, it also leads to an increase in volume of data, which shifts overall cost ...