cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.28388117
title: Datasets and input for "<b>Impact of octahedral aluminium sites on guest molecule adsorption in zeolites: A computational study of 5-fluorouracil in zeolite FAU</b>"

description: Sample input files and datasets connected to the study <b>"</b><b>Impact of octahedral aluminium sites on guest molecule adsorption in zeolites: A computational study of 5-fluorouracil in zeolite FAU</b><b>"</b> (<i>to be submitted to ChemRiv</i>).The following files are included:<b>Sample_inputs.zip:</b> Sample inputs of CP2K calculations<b>Optimised_structures.zip:</b><b> </b>Optimised structures obtained from DFT optimisations <b>Vibrational_calculations.zip:</b><b> </b>Results of vibrational calculations<b>AIMD_trajectories_FAU_fwAloct_models.zip</b><b>:</b> Trajectories (in PDB format) obtained in AIMD simulations of FAU_fwAloct models in the absence and presence of additional H<sub>2</sub>O molecules<b>AIMD_trajectories_FAU_fwAloct_and_5-FU.zip:</b> Trajectories (in PDB format) obtained in AIMD simulations of FAU_fwAloct models with Al-coordinated 5-FU in the absence and presence of additional H<sub>2</sub>O molecules
DOI: 10.25403/upresearchdata.28368977
title: Fate and behaviour of engineered nanoparticles in aqueous environments

description: The field of nanoecotoxicology has seen a steady increase in experimental data recently; yet, there is a lack of accessible nano databases for efficient analysis. The meta-data analysis and systematic review (MDASR) process, which makes use of secondary data extracted from literature reviews, was considered for developing this database. This process adhered to the guidelines of "Preferred reporting items for systematic reviews and meta-analyses" (PRISMA). GetData Graph Digitizer v.2.24 software (http://getdata-graph-digitizer.com/) was applied for extracting quantitative data embedded in figures. The identified inputs in this dataset include key information on the physical-chemical properties, water chemistry properties, and exposure conditions. These include shape, size, coating, ZP, solubility, and water chemistry factors such as NOM (dissolved organic carbon (DOC), total dissolved carbon (TOC), IS, pH, conductivity, and temperature, among others.
DOI: 10.15468/dl.5mhkjc
title: Occurrence Download

description: A dataset containing 75 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gastrochilus matsuran (Makino) Schltr."
 ]
}

 The dataset includes 75 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0224357-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dnrmd6
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "TaxonKey is Cordylophora caspia (Pallas, 1771)"
 ]
}

 The dataset includes 4 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007874-240425142415019/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yrm76r
title: Occurrence Download

description: A dataset containing 286 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Abies pinsapo Boiss."
 ]
}

 The dataset includes 286 records from 55 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0236112-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z794ms
title: Occurrence Download

description: A dataset containing 122 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Astragalus ernestii H.F.Comber",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 122 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263278-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.q5tnhz
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tinamiformes",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0257231-220831081235567/datasets/export for details.
DOI: 10.15468/dl.sxm992
title: Occurrence Download

description: A dataset containing 1728 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bistorta macrophylla (D.Don) Soják",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 1728 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263272-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.exha7v
title: Occurrence Download

description: A dataset containing 798 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Draco maculatus (Gray, 1845)"
 ]
}

 The dataset includes 798 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0240230-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.br6sq8
title: Occurrence Download

description: A dataset containing 71 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Koeleria luerssenii (Domin) Domin"
 ]
}

 The dataset includes 71 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001757-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8nn2tv
title: Occurrence Download

description: A dataset containing 4268 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Continent is one of (Europe, Asia)",
 "CoordinateUncertaintyInMeters 0.0-499.0",
 "Issue is one of (Geodetic datum assumed WGS84, Occurrence status unparsable)",
 "OccurrenceStatus is Present",
 "TaxonKey is Vipera berus (Linnaeus, 1758)",
 "Year 2008-2023"
 ]
}

 The dataset includes 4268 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0249227-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2gse2m
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Scutellaria darriensis Grossh."
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0121413-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6yptxq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Musophagiformes",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0257230-220831081235567/datasets/export for details.
DOI: 10.15468/dl.jwbp9r
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Geophila melanocarpa Ridl."
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0226750-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wcuraq
title: Occurrence Download

description: A dataset containing 21436 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TypeStatus is Unspecified type"
 ]
}

 The dataset includes 21436 records from 135 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0257215-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n8wy7e
title: Occurrence Download

description: A dataset containing 26633418 species occurrences available in GBIF matching the query:
{
 "Country" : [
 "is Mexico"
 ]
}

 The dataset includes 26633418 records from 3770 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0249225-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9q8urk
title: Occurrence Download

description: A dataset containing 4967 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elatine alsinastrum L."
 ]
}

 The dataset includes 4967 records from 238 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019202-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c6h6bj
title: Occurrence Download

description: A dataset containing 90 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Anatomidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 90 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019203-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hatkur
title: Occurrence Download

description: A dataset containing 106 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Prionodon pardicolor Hodgson, 1842"
 ]
}

 The dataset includes 106 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019204-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11479418
title: A Cosmic-Scale Benchmark for Symmetry-Preserving Data Processing

description: Overview

This dataset is derived from the Big Sobol Sequence (BSQ) of the Quijote simulations, a collection of N-body simulations designed for machine learning applications. Each simulation consists of a point cloud (points in space, with 3D coordinates attached to them) generated under a varying set of cosmological parameters. Each point represents a simulated galaxy and is accompanied by associated properties such as velocity and mass. The cardinality of each point cloud is 5000 points. The dataset is split into 11,200 simulations in the training set, 608 in the validation set, and 576 in the test set. 

File structure

The dataset is provided in TFRecord format. The training simulations are split across 50 TFRecord files following the naming convention halos_train_<i>.tfrecord. The validation and test sets are provided in halos_val_1.tfrecord and halos_test_1.tfrecord, respectively.

Each dataset can be loaded using TensorFlow as shown in the code example below:





import tensorflow as tffiles = tf.io.gfile.glob(f"halos*train*.tfrecord") # replace 'train' with 'val' or 'test'

dataset = tf.data.TFRecordDataset(files)



TFRecord structure

Each record (corresponding to a point cloud) in a TFRecord file contains the following feature fields:



"x": (tensor of shape [5000], dtype=float) - Position along x axis

"y": (tensor of shape [5000], dtype=float) - Position along y axis

"z": (tensor of shape [5000], dtype=float) - Position along z axis

"v_x": (tensor of shape [5000], dtype=float) - Velocity along x axis

"v_y": (tensor of shape [5000], dtype=float) - Velocity along y axis

"v_z": (tensor of shape [5000], dtype=float) - Velocity along z axis

"J_x": (tensor of shape [5000], dtype=float) - Angular momentum along x axis

"J_y": (tensor of shape [5000], dtype=float) - Angular momentum along y axis

"J_z": (tensor of shape [5000], dtype=float) - Angular momentum along z axis

"M200c": (tensor of shape [5000], dtype=float) - Virial mass

"Omega_m": (float) - Matter density

"Omega_b": (float) - Baryon density

"h": (float) - Hubble parameter

"n_s": (float) - Density perturbation spectral index

"sigma_8": (float) - RMS matter fluctuation amplitude on a scale of 8 Mpc/h

"tpcf": (tensor of shape [24], dtype=float) - Two-point correlation function
DOI: 10.5281/zenodo.11479419
title: A Cosmic-Scale Benchmark for Symmetry-Preserving Data Processing

description: Overview

This dataset is derived from the Big Sobol Sequence (BSQ) of the Quijote simulations, a collection of N-body simulations designed for machine learning applications. Each simulation consists of a point cloud (points in space, with 3D coordinates attached to them) generated under a varying set of cosmological parameters. Each point represents a simulated galaxy and is accompanied by associated properties such as velocity and mass. The cardinality of each point cloud is 5000 points. The dataset is split into 11,200 simulations in the training set, 608 in the validation set, and 576 in the test set. 

File structure

The dataset is provided in TFRecord format. The training simulations are split across 50 TFRecord files following the naming convention halos_train_<i>.tfrecord. The validation and test sets are provided in halos_val_1.tfrecord and halos_test_1.tfrecord, respectively.

Each dataset can be loaded using TensorFlow as shown in the code example below:





import tensorflow as tffiles = tf.io.gfile.glob(f"halos*train*.tfrecord") # replace 'train' with 'val' or 'test'

dataset = tf.data.TFRecordDataset(files)



TFRecord structure

Each record (corresponding to a point cloud) in a TFRecord file contains the following feature fields:



"x": (tensor of shape [5000], dtype=float) - Position along x axis

"y": (tensor of shape [5000], dtype=float) - Position along y axis

"z": (tensor of shape [5000], dtype=float) - Position along z axis

"v_x": (tensor of shape [5000], dtype=float) - Velocity along x axis

"v_y": (tensor of shape [5000], dtype=float) - Velocity along y axis

"v_z": (tensor of shape [5000], dtype=float) - Velocity along z axis

"J_x": (tensor of shape [5000], dtype=float) - Angular momentum along x axis

"J_y": (tensor of shape [5000], dtype=float) - Angular momentum along y axis

"J_z": (tensor of shape [5000], dtype=float) - Angular momentum along z axis

"M200c": (tensor of shape [5000], dtype=float) - Virial mass

"Omega_m": (float) - Matter density

"Omega_b": (float) - Baryon density

"h": (float) - Hubble parameter

"n_s": (float) - Density perturbation spectral index

"sigma_8": (float) - RMS matter fluctuation amplitude on a scale of 8 Mpc/h

"tpcf": (tensor of shape [24], dtype=float) - Two-point correlation function
DOI: 10.15468/dl.hfey4n
title: Occurrence Download

description: A dataset containing 471 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elatine ambigua Wight"
 ]
}

 The dataset includes 471 records from 79 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019205-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e9z2m2
title: Occurrence Download

description: A dataset containing 302 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Margaritidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 302 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019206-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wdkdny
title: Occurrence Download

description: A dataset containing 609 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elatine americana (Pursh) Arn."
 ]
}

 The dataset includes 609 records from 78 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019208-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qjgrv2
title: Occurrence Download

description: A dataset containing 1533 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pyramidellidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1533 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019209-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j2j8dd
title: Occurrence Download

description: A dataset containing 22 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gallicolumba platenae (Salvadori, 1893)"
 ]
}

 The dataset includes 22 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019210-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.appvb5
title: Occurrence Download

description: A dataset containing 24 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elatine gussonei (Sommier) Brullo, Lanfr., Pavone & Ronsisv."
 ]
}

 The dataset includes 24 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019211-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dt7fnt
title: Occurrence Download

description: A dataset containing 1040 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Viverra zibetha Linnaeus, 1758"
 ]
}

 The dataset includes 1040 records from 45 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019212-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7ee779
title: Occurrence Download

description: A dataset containing 1569 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Fissurellidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1569 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019213-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ygfk2s
title: Occurrence Download

description: A dataset containing 14508 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elatine hexandra (Lapierre) DC."
 ]
}

 The dataset includes 14508 records from 364 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019214-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8jwcu8
title: Occurrence Download

description: A dataset containing 189 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Acteonidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 189 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019216-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t3t7x4
title: Occurrence Download

description: A dataset containing 147 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elatine hungarica Moesz"
 ]
}

 The dataset includes 147 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019217-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fwxy9d
title: Occurrence Download

description: A dataset containing 1218008 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Fraxinus excelsior L."
 ]
}

 The dataset includes 1218008 records from 3513 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019207-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9eynew
title: Occurrence Download

description: A dataset listing the 44 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-82.85296 28.15419,-82.78497 28.15419,-82.78497 28.2182,-82.85296 28.2182,-82.85296 28.15419))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year 1990-1995"
 ]
}

 The dataset's 44 records were derived from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0029788-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uy8qc8
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is Typhlatya dzilamensis Alvarez, Iliffe & J.L.Villalobos, 2005"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003606-171002173027117/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rtm2d6
title: Occurrence Download

description: A dataset containing 408 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Dendroctonus terebrans (A.G.Olivier, 1800)"
 ]
}

 The dataset includes 408 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0034686-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mlyhif
title: Occurrence Download

description: A dataset containing 30 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Chorispora macropoda Trautv.",
 "HasCoordinate is true",
 "Year is greater than or equal to 1950"
 ]
}

 The dataset includes 30 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004697-160509122628363/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.