cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.57745/nsklzb
title: T272_CAPRI_scoring.pdb.gz

description: :unav
DOI: 10.57745/pso08b
title: T272_CAPRI_assessment.tab

description: :unav
DOI: 10.57745/qwv8na
title: H1227_T272_combined_scores.tab

description: :unav
DOI: 10.57745/rori4s
title: LICENSE

description: :unav
DOI: 10.57745/tvp9jx
title: T272_CAPRI_assessment.tab

description: :unav
DOI: 10.57745/uizvhf
title: README.txt

description: :unav
DOI: 10.57745/xswm0y
title: MassiveFold_CASP16_Abstract.pdf

description: :unav
DOI: 10.57745/z964kf
title: H1227_T272_MassiveFold.tar.gz
DOI: 10.15468/dl.y96pw2
title: Occurrence Download

description: A dataset containing 562 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Occurrence evidence, Human Observation)",
 "Country is Bhutan",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Ardea insignis Hume, 1878"
 ]
}

 The dataset includes 562 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019767-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28904297
title: Raw data for A Generalized Analytical Model for Tidal Hydraulic Responses in Multilayered Leaky Aquifer Systems with Horizontal Zonal Heterogeneity

description: Over the past four decades, analytical solutions for tide-induced groundwater hydraulics in coastal leaky aquifers have been predominantly limited to one- or two-layer systems, often failing to address the complex heterogeneity patterns characterized by vertical layering and horizontal zonal variations in hydraulic properties. This study presents a generalized analytical model that accommodates an arbitrary number of leaky aquifer layers and horizontally segmented zones. To enhance its generality, the model integrates mixed boundary conditions at the lateral boundaries, zone-matched periodic-head boundary conditions at the top boundary, and tidal loading effects driven by top-boundary periodic head. The solution derivation begins with the formulation of a system of ordinary differential equations that govern either the steady-state or periodic component of the tidal aquifer head within each horizontal zone. The matrix eigenvalue analysis approach is employed to derive the general solutions, and a recursive formulation for the involved constant coefficients is established to ensure head and flux continuity across zone interfaces. To avoid matrix singularity arising from inversion computations, an innovative local coordinate system methodology is introduced. The accuracy of the analytical solution is verified against numerical simulations. Theoretical analysis reveals that the tidal hydraulic response is sensitive to both vertical layering and horizontal zonal heterogeneity. Most notably, concentrated leakage through the aquitard window functioning as a preferential conduit could cause a localized increase in the amplitude while a decrease in the phase shift of the tidal head in the adjacent aquifer with lower permeability, an anomalous tidal wave propagation phenomenon that is previously undocumented. The presented analytical framework demonstrates both generality and versatility in the investigation of groundwater-surface water interactions, offering valuable insights for groundwater management, protection, and engineering control in riparian regions.
DOI: 10.6084/m9.figshare.28904297.v1
title: Raw data for A Generalized Analytical Model for Tidal Hydraulic Responses in Multilayered Leaky Aquifer Systems with Horizontal Zonal Heterogeneity

description: Over the past four decades, analytical solutions for tide-induced groundwater hydraulics in coastal leaky aquifers have been predominantly limited to one- or two-layer systems, often failing to address the complex heterogeneity patterns characterized by vertical layering and horizontal zonal variations in hydraulic properties. This study presents a generalized analytical model that accommodates an arbitrary number of leaky aquifer layers and horizontally segmented zones. To enhance its generality, the model integrates mixed boundary conditions at the lateral boundaries, zone-matched periodic-head boundary conditions at the top boundary, and tidal loading effects driven by top-boundary periodic head. The solution derivation begins with the formulation of a system of ordinary differential equations that govern either the steady-state or periodic component of the tidal aquifer head within each horizontal zone. The matrix eigenvalue analysis approach is employed to derive the general solutions, and a recursive formulation for the involved constant coefficients is established to ensure head and flux continuity across zone interfaces. To avoid matrix singularity arising from inversion computations, an innovative local coordinate system methodology is introduced. The accuracy of the analytical solution is verified against numerical simulations. Theoretical analysis reveals that the tidal hydraulic response is sensitive to both vertical layering and horizontal zonal heterogeneity. Most notably, concentrated leakage through the aquitard window functioning as a preferential conduit could cause a localized increase in the amplitude while a decrease in the phase shift of the tidal head in the adjacent aquifer with lower permeability, an anomalous tidal wave propagation phenomenon that is previously undocumented. The presented analytical framework demonstrates both generality and versatility in the investigation of groundwater-surface water interactions, offering valuable insights for groundwater management, protection, and engineering control in riparian regions.
DOI: 10.57745/ky8myt
title: LICENSE

description: :unav
DOI: 10.57745/uozvv9
title: T278_CAPRI_assessment.tab

description: :unav
DOI: 10.57745/wjsm9g
title: README.txt

description: :unav
DOI: 10.57745/8cnyxi
title: T278_CAPRI_assessment.tab

description: :unav
DOI: 10.57745/guwy3e
title: gather_runs.py

description: :unav
DOI: 10.57745/mtdg8m
title: H1232_T278_combined_scores.tab

description: :unav
DOI: 10.57745/opimpw
title: T278_CAPRI_scoring.pdb.gz

description: :unav
DOI: 10.57745/ordjt4
title: H1232_T278_combined_scores.tab

description: :unav
DOI: 10.57745/rgprcl
title: MassiveFold_CASP16_Abstract.pdf

description: :unav
DOI: 10.57745/syrfqo
title: H1232_T278_MassiveFold.tar.gz

description: :unav
DOI: 10.57745/zbgkyx
title: H1232_T278_only_pdbs_MassiveFold.tar.gz

description: :unav
DOI: 10.5281/zenodo.15591628
title: THE EXPRESSION OF EUPHEMISMS THROUGH METAPHOR
DOI: 10.5281/zenodo.15591629
title: THE EXPRESSION OF EUPHEMISMS THROUGH METAPHOR
DOI: 10.15468/dl.sbf3js
title: Occurrence Download

description: A dataset containing 781570 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Passerculus sandwichensis (J.F.Gmelin, 1789), Zonotrichia leucophrys (J.R.Forster, 1772), Montifringilla adamsi Adams, 1859, Montifringilla henrici (Oustalet, 1892), Montifringilla nivalis (Linnaeus, 1766), Onychostruthus taczanowskii (Prjevalsky, 1876), Passer ammodendri Gould, 1872, Passer cinnamomeus (Temminck, 1836), Passer domesticus (Linnaeus, 1758), Passer hispaniolensis (Temminck, 1820), Passer montanus (Linnaeus, 1758), Petronia petronia (Linnaeus, 1766), Pyrgilauda blanfordi (Hume, 1876), Pyrgilauda davidiana J.Verreaux, 1870, Pyrgilauda ruficollis (Blanford, 1871), Gampsorhynchus rufulus Blyth, 1844, Gampsorhynchus torquatus Hume, 1874, Graminicola striatus Styan, 1892, Napothera crispifrons (Blyth, 1855), Napothera brevicaudata (Blyth, 1855), Napothera epilepidota (Temminck, 1828), Rimator malacoptilus Blyth, 1847, Jabouilleia naungmungensis Rappole, Renner, Shwe & Sweet, 2005, Pellorneum albiventre (Godwin-Austen, 1877), Pellorneum ruficeps Swainson, 1832, Pellorneum tickelli Blyth, 1859, Alcippe brunnea Gould, 1863, Alcippe castaneceps (Hodgson, 1837), Alcippe cinerea (Blyth, 1847), Alcippe dubia (Hume, 1874), Alcippe rufogularis (Mandelli, 1873), Alcippe variegaticeps Yen, 1932, Phylloscopus affinis (Tickell, 1833), Phylloscopus armandii (Milne-Edwards, 1865), Phylloscopus borealis (J.H.Blasius, 1858), Phylloscopus borealoides Portenko, 1950, Seicercus burkii (Burton, 1836), Phylloscopus calciatilis Alström, Davidson, Duckworth, Eames, Le, Nguyen, Olsson, Robson & Timmins, 2009, Phylloscopus cantator (Tickell, 1833), Seicercus castaniceps (Hodgson, 1845))",
 "Geometry POLYGON((73.5208333 16.6625,135.0791667 16.6625,135.0791667 53.5541667,73.5208333 53.5541667,73.5208333 16.6625))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Country is one of (China, Hong Kong, Macao, Chinese Taipei)"
 ]
}

 The dataset includes 781570 records from 54 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019757-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n9qbvc
title: Occurrence Download

description: A dataset containing 329 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-8.32418 41.39078,-2.84002 41.39078,-2.84002 43.58637,-8.32418 43.58637,-8.32418 41.39078))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "PublishingOrg is one of (7338b4d9-d75b-4edb-b238-b09f52397f49, 37560003-ae75-43c3-95aa-48c98797aa2a)",
 "TaxonKey is Ursus arctos Linnaeus, 1758"
 ]
}

 The dataset includes 329 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019771-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15591654
title: Submitted Galaxy Scores to the Gravitational Wave Treasure Map for event MS250604j Preliminary

description: Attached in a .json file is the ranked galaxy information within the contour region of the EM counterpart search associated with the gravitational wave event MS250604j Preliminary. A reference to these calculations can be found here: https://ui.adsabs.harvard.edu/abs/2017ApJ...848L..33A/abstract
DOI: 10.5281/zenodo.15591655
title: Submitted Galaxy Scores to the Gravitational Wave Treasure Map for event MS250604j Preliminary

description: Attached in a .json file is the ranked galaxy information within the contour region of the EM counterpart search associated with the gravitational wave event MS250604j Preliminary. A reference to these calculations can be found here: https://ui.adsabs.harvard.edu/abs/2017ApJ...848L..33A/abstract
DOI: 10.15468/dl.kp5evd
title: Occurrence Download

description: A dataset containing 9877344 records in GBIF matching the query:

 SELECT species, "year", "month", individualCount, decimalLongitude, decimalLatitude
 FROM occurrence 
 WHERE 
 taxonKey IN (8332393, 8214667, 8000602, 9761484, 9274012, 9362027, 2481800, 9752617, 9797180, 2480906, 2481776, 2480910, 2481748, 2481759, 2481765, 2481741, 2481749, 8250742, 2480311, 7937336, 9566659, 2480876, 2481819, 7788295, 5229126, 2481681, 2480863, 2480801, 2480773, 2480259, 2481713, 2481726, 2481714, 2480830, 2481912, 2481909, 2481685, 2481784, 2481700, 2480242)
 AND hasCoordinate = TRUE
 AND basisOfRecord IN ('OBSERVATION', 'OCCURRENCE', 'MACHINE_OBSERVATION', 'HUMAN_OBSERVATION') AND "year" IN (2021, 2022) 
 AND occurrenceStatus = 'PRESENT' 
 AND GBIF_WITHIN('POLYGON ((-28.79309 30.22346, 71.268 30.22346, 71.268 71.15695, -28.79309 71.15695, -28.79309 30.22346))', occurrence.decimallatitude, occurrence.decimallongitude) = TRUE
 

 The dataset's 9877344 records were derived from 2028 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019765-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ubwj65
title: Occurrence Download

description: A dataset containing 4823 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cladonia rangiferina (L.) Weber ex F.H.Wigg.",
 "Country is Norway"
 ]
}

 The dataset includes 4823 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019500-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15151/esrf-es-2113707734
title: CHRONOS

description: Many fundamental processes evolve over months and years, including 1) the strengthening of fault zones in the interseismic period between earthquakes, 2) the sequestration of carbon-bearing minerals in subsurface geologic reservoirs, 3) charge cycling in batteries, 4) the reactions between mixing magmas preceding volcanic eruptions, and 5) the degradation of fossils. Characterizing these processes in experiments typically requires unnatural methods of increasing the rates of reactions, or periodically removing the material from the apparatus or host material. Organization of a group of experts focused on these processes into a BAG will provide significant advances in our understanding of these processes. The BAG will enable far longer experiments than achieved previously that reveal the 4D evolution in situ, without significant perturbation of the sample, and without unnatural acceleration of the rates of the processes.
DOI: 10.15151/esrf-es-2113708338
title: CHRONOS

description: Many fundamental processes evolve over months and years, including 1) the strengthening of fault zones in the interseismic period between earthquakes, 2) the sequestration of carbon-bearing minerals in subsurface geologic reservoirs, 3) charge cycling in batteries, 4) the reactions between mixing magmas preceding volcanic eruptions, and 5) the degradation of fossils. Characterizing these processes in experiments typically requires unnatural methods of increasing the rates of reactions, or periodically removing the material from the apparatus or host material. Organization of a group of experts focused on these processes into a BAG will provide significant advances in our understanding of these processes. The BAG will enable far longer experiments than achieved previously that reveal the 4D evolution in situ, without significant perturbation of the sample, and without unnatural acceleration of the rates of the processes.
DOI: 10.15151/esrf-es-2113989934
title: Belgium BAG

description: The Belgium BAG includes groups situated at four Flemish universities: Antwerpen, Brussels, Ghent and Leuven. The proposed projects are highly diverse, including viral, prokaryotic and eukaryotic proteins with a strong focus on targets and processes of biomedical relevance. Many projects deal with membrane proteins, cell surface receptors and protein-protein complexes. Central to the research in the BAG associated groups is the employment of integrative methods in structural biology combining X-ray crystallography, SAXS, and electron microscopy. Many crystals in the various proposed projects are small in size and radiation sensitive, requiring the use of the high brilliance MX beam lines, preferably with micro-focused X-rays.
DOI: 10.15151/esrf-es-2114568853
title: Structure of metalloproteins, membrane proteins, filamentous sarcomer proteins, and virus particles

description: Our work focusses on biological nitrogen fixation by Nitrogenase, on metalloenzymes and integral membrane proteins of bacterial and archaeal respiratory systems (Andrade/Einsle/Wohlwend), the working mechanism and regulation of medically relevant membrane proteins and complexes and their defects leading to pathologies (Hunte/Wirth), bacterial antibiotic resistance factors and viral and bacterial proteins bound to their targets or inhibitors, and their interactions with glycans (Stehle/Zocher), human S100 proteins involved in nutritional immunity, USP18 enforcing the endogenous antiviral interferon response, and the respiratory complex NQR of V. cholerae (Fritz), DNA Polymerases with artificial substrates (Betz), and on multi-domain components of the sarcomeric filamentous protein titin and their binding to the E3 ubiquitin ligase MuRF1 and the central myosin rod-domain (Mayans).
DOI: 10.15151/esrf-es-2125098342
title: Assessing structural transitions from order to disorder in titanium-based MOFs during metal center oxidation via total scattering

description: This project aims to investigate the structural transformations that occur during the oxidation of Ti(III) metal centres in metal-organic frameworks (MOFs), leading to their amorphous but functional Ti(IV) counterparts. Using in situ time-resolved total scattering, we will monitor the real-time evolution of these materials to gain critical insights into the transformation mechanism. This approach will reveal details of the local structure in the final amorphous TiIV MOFs that are otherwise inaccessible through traditional ex situ characterization techniques, hence enabling a deeper understanding of their structure-property relationships.
DOI: 10.15468/dl.ra9zk5
title: Occurrence Download

description: A dataset containing 4823 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cladonia rangiferina (L.) Weber ex F.H.Wigg.",
 "Country is Norway"
 ]
}

 The dataset includes 4823 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019501-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15151/esrf-es-2170066459
title: Practicals for students of "Ecole Doctorale de Chimie - Grenoble"

description: Practicals for students of "Ecole Doctorale de Chimie - Grenoble". One list of participants / users, but the group will be splitted in 2.
DOI: 10.15151/esrf-es-2114505468
title: CryoEM-BAG France: Structural biology using cryoEM in France

description: This proposal gathers Principal Investigators from Institutes across France that use cryoEM to unravel the molecular mechanisms associated with different
fundamental biological processes. Scientists belong to 12 centres that currently use CM01 for cryoEM. PIs in this application were part of the previous BAG
MX2596, with one new member who has previously used CM01 via rolling access, replacing two members who have left. For the next 6 month period we have asked for the same number of shifts as awarded for 2024/4 (48 shifts).
Over 18 projects from the BAG are ready for data collection at ESRF CM01. These include the study of bacterial and viral infection machineries (Bordeaux, Lyon,
Paris, Marseille), translational and trancriptional control mechanisms (Bordeaux, Toulouse, Paris, Strasbourg), structural proteins involved in muscle or macromolecular transport (Bordeaux, Lyon, Strasbourg, Paris), and enzymes (Paris, Bordeaux, Toulouse).
DOI: 10.15468/dl.t3r2gh
title: Occurrence Download

description: A dataset containing 25448 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Bison bison (Linnaeus, 1758)"
 ]
}

 The dataset includes 25448 records from 141 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019504-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cqv7qx
title: Occurrence Download

description: A dataset containing 36448 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Streptomyces Waksman & Henrici, 1943"
 ]
}

 The dataset includes 36448 records from 425 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019502-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4d3zqr
title: Occurrence Download

description: A dataset containing 14729 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Persea americana Mill."
 ]
}

 The dataset includes 14729 records from 658 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019505-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15571611
title: TDDFT Data for Vanadium Monoanion and Its Hexacarbonyl Complex in Intense Laser Fields

description: The complete dataset contains TDDFT outputs computed with the OEP formalism. Below is a description of each file and its contents:





V⁻  (vanadium monoanion) under long‐wavelength pulses:





8000.txt, 10000.txt, 12000.txt





Contents (per time step):





Spatial integral of the electron density (i.e., total electron population)




Spin‐orbital populations (spatial integrals of each spin‐orbital’s density)




Time‐dependent (TD) dipole moment




TD spin-orbital dipole moments






Laser parameters:





8000 nm at 0.08 TW/cm² (8000.txt)




10000 nm at 0.05 TW/cm² (10000.txt)




12000 nm at 0.03 TW/cm² (12000.txt)




Each pulse has a sin² envelope over 20 optical cycles




Time step ≃ 0.3 a.u.




Dipole moments are reported in atomic units






Extracted HHG spectra and orbital contributions:





V-_HHG_8000nm.txt




V-_HHG_10000nm.txt




V-_HHG_12000nm.txtThese files give |Fourier[TD dipole]|², which were used to generate the high‐harmonic generation (HHG) spectra and to decompose contributions from  spin-orbitals.










[V(CO)₆]⁻ (vanadium hexacarbonyl monoanion):





VCO6-_7000nm.txt





TDDFT outputs (same format as above) under a single 7000 nm, 0.3 TW/cm² laser pulse (sin² envelope, 20 cycles, ∆t ≃ 0.3 a.u.).






VCO6-_8000nm.txt





TDDFT outputs under an 8000 nm, 0.3 TW/cm² pulse, plus labeled dipole‐moment partitions:





“g” → ground → excited + ground → continuum transitions




“e+c” → (excited → excited) + (excited → continuum) + (continuum → continuum) transitions






All dipole moments remain in atomic units.






HHG spectra (Fourier‐transformed TD dipole) for [V(CO)₆]⁻:





VCO6-_HHG_7000nm.txt




VCO6-_HHG_8000nm.txt








Frozen‐Potential TDDFT (to isolate many‐electron effects):





VCO6-_7000nm_fzpot.txt, VCO6-_8000nm_fzpot.txt





Same laser conditions as above, but the electron–electron potential is held fixed at its field‐free value (∆v = 0).






Corresponding HHG spectra and contributions:





VCO6-_HHG_7000nm.txt




VCO6-_HHG_8000nm.txtThe last column in these files shows how freezing the many‐electron potential (∆v = 0) changes the harmonic cutoff and intensity.
description: Notes:





All data are provided as plain text, with columns separated by spaces.




“Raw data” here refers to the TDDFT time‐series (densities, dipoles) given in the “.txt” files. “Processed data” refers to the post‐Fourier results in the “HHG” files.




To reproduce or inspect any specific calculation, use the labeled file that matches the pulse wavelength and intensity of interest.