Related papers: XASDB -- Design and Implementation of an Open-Acce…
Membrane Proteins (MPs) account for around 15-39% of the human proteome and assume a critical role in a vast set of cellular and physiological mechanisms, including molecular transport, nutrient uptake, toxin and waste product clearance,…
Summary: The CoV-Spectrum website supports the identification of new SARS-CoV-2 variants of concern and the tracking of known variants. Its flexible amino acid and nucleotide mutation search allows querying of variants before they are…
Relational databases (DBs) are ideal tools to manage bulky and structured data archives. In particular for Astronomy they can be used to fulfill all the requirements of a complex project, i.e. the management of: documents, software (s/w)…
In the current context of Big Data, a multitude of new NoSQL solutions for storing, managing, and extracting information and patterns from semi-structured data have been proposed and implemented. These solutions were developed to relieve…
High-resolution spectroscopy (R > 25,000) has opened new opportunities to characterize exoplanet atmospheres from the ground. By resolving individual lines in planetary emission and transmission spectra, one can sensitively probe the…
The growing demand for extensive data processing is now a standard in many scientific fields. Efficiently distributing data to processing sites and enabling seamless sharing has become crucial. The Open Science Data Federation (OSDF) builds…
X-ray absorption near edge structure (XANES) is an essential tool for elucidating the atomic-scale, local three-dimensional (3D) structure of given materials and molecules. The rapid computation of XANES based on molecular 3D structures…
Nowadays, many scientific areas share the same broad requirements of being able to deal with massive and distributed datasets while, when possible, being integrated with services and applications. In order to solve the growing gap between…
The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest…
Synchrotron facilities like the Cornell High Energy Synchrotron Source (CHESS) generate massive data volumes from complex beamline experiments, but face challenges such as limited access time, the need for on-site experiment monitoring, and…
Diamond Light Source (DLS), the UK synchrotron facility, attracts scientists from across the world to perform ground-breaking x-ray experiments. With over 3000 scientific users per year, vast amounts of data are collected across the…
We describe v02 of igmspec, a database of publically available ultraviolet, optical, and near-infrared spectra that probe the intergalactic medium (IGM). This database, a child of the specdb repository in the specdb github organization,…
The XMM Cluster Survey (XCS) is a serendipitous search for galaxy clusters using all publicly available data in the XMM-Newton Science Archive. Its main aims are to measure cosmological parameters and trace the evolution of X-ray scaling…
XMM-Newton is a cornerstone mission of the European Space Agency (ESA) for X-ray astronomy, providing high-quality X-ray data for astrophysical research since the start of the century. Its Science Analysis System (SAS) has been a reliable…
The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new materials and properties that were added to the database since…
The XMM-Newton spectral-fit database (XMMFITCAT) is a catalogue of spectral fitting results for the source detections within the XMM-Newton Serendipitous source catalogue with more than 50 net (background-subtracted) counts per detector in…
The proliferation of new types of drugs necessitates the urgent development of faster and more accurate detection methods. Traditional detection methods have high requirements for instruments and environments, making the operation complex.…
Recent advancements in Earth system science have been marked by the exponential increase in the availability of diverse, multivariate datasets characterised by moderate to high spatio-temporal resolutions. Earth System Data Cubes (ESDCs)…
\textquotedblleft Stark" broadening theories and calculations have been extensively developed for about 50 years and can now be applied to many needs, especially for accurate spectroscopic diagnostics and modeling. This requires the…
Water scarcity and the low quality of wastewater produced in industrial applications present significant challenges, particularly in managing fresh water intake and reusing residual quantities. These issues affect various industries,…