cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.10364546
title: Datasets of DFT adsorption energies of H and for O and OH on different pure metals and binary intermetallic compounds considering the application of elastic strains and lists of candidates for screening

description: This resource contains two datasets and two lists of candidates for screening in JSON format. Also It contains ZIP folders with all Quantum Espresso Inputs and outputs from which the JSON datasets were obtained. All Quantum Espresso outputs will be later added to Catalysis Hub (https://www.catalysis-hub.org/). The file "QuantumEspresso_versions" is a text file contaning the information of the Quantum Espresso versions employed for obtaining the dataset.

The datasets contain the adsorption energies for surface slabs of a large number of binary intermetallic compounds with different compositions and lattices (for instance, A3B fcc, A3B hpc, AB bcc, etc.). Adsorption energies were computed for different adsorbates (H, O, and OH) on distinct adsorption sites (e.g., fcc AAB, fcc AAA, hcp AAA, hcp AAB, on-top A, and on-top B) and minimum energy surfaces. In addition, different elastic strains (biaxial tension, biaxial compression) were applied to assess their effect on adsorption energies. All calculations were carried out using DFT approximations as implemented in the Open-source software Quantum Espresso. Besides the adsorption energies, the datasets also contain relevant geometric and electronic descriptors (PSI, cell volume, weighted atomic radius, generalized coordination number, weighted electronegativity, weighted first ionization energy, outer electrons, and biaxial strain)  calculated to feed them as features in the training of ML models. The datasets with the tag "scaled" on its name have the descriptors scaled following a MinMax scaling and are given in xlsx format.

The lists for screening contain candidates not included in the dataset for which Random Forest predictions of the Eads were obtained. The lists contain the geometric and electronic descriptors of all screening candidates, as well as the predicted adsorption energy (Eads_RF).

A GitHub repository is linked to this dataset (https://github.com/vvassilevg/HighHydrogenML). The repository contains two Python scripts:

1) Script for creating a dataset from QuantumEspresso outputs, where all relevant descriptors are computed. It outputs a pickle and json files that can be later converted to any other desired format (like xlsx).

2) Script for training a Random Forest model for the prediction of adsorption energies (the datasets with the "scaled" tag must be used for the script to work correctly).
DOI: 10.5281/zenodo.11486422
title: Datasets of DFT adsorption energies of H and for O and OH on different pure metals and binary intermetallic compounds considering the application of elastic strains and lists of candidates for screening

description: This resource contains two datasets and two lists of candidates for screening in JSON format. Also It contains ZIP folders with all Quantum Espresso Inputs and outputs from which the JSON datasets were obtained. All Quantum Espresso outputs will be later added to Catalysis Hub (https://www.catalysis-hub.org/). The file "QuantumEspresso_versions" is a text file contaning the information of the Quantum Espresso versions employed for obtaining the dataset.

The datasets contain the adsorption energies for surface slabs of a large number of binary intermetallic compounds with different compositions and lattices (for instance, A3B fcc, A3B hpc, AB bcc, etc.). Adsorption energies were computed for different adsorbates (H, O, and OH) on distinct adsorption sites (e.g., fcc AAB, fcc AAA, hcp AAA, hcp AAB, on-top A, and on-top B) and minimum energy surfaces. In addition, different elastic strains (biaxial tension, biaxial compression) were applied to assess their effect on adsorption energies. All calculations were carried out using DFT approximations as implemented in the Open-source software Quantum Espresso. Besides the adsorption energies, the datasets also contain relevant geometric and electronic descriptors (PSI, cell volume, weighted atomic radius, generalized coordination number, weighted electronegativity, weighted first ionization energy, outer electrons, and biaxial strain)  calculated to feed them as features in the training of ML models. The datasets with the tag "scaled" on its name have the descriptors scaled following a MinMax scaling and are given in xlsx format.

The lists for screening contain candidates not included in the dataset for which Random Forest predictions of the Eads were obtained. The lists contain the geometric and electronic descriptors of all screening candidates, as well as the predicted adsorption energy (Eads_RF).

A GitHub repository is linked to this dataset (https://github.com/vvassilevg/HighHydrogenML). The repository contains two Python scripts:

1) Script for creating a dataset from QuantumEspresso outputs, where all relevant descriptors are computed. It outputs a pickle and json files that can be later converted to any other desired format (like xlsx).

2) Script for training a Random Forest model for the prediction of adsorption energies (the datasets with the "scaled" tag must be used for the script to work correctly).

 

The dataset, ML model and screening have been accepted for publication in Catalysis Science & Technology DOI: DOI:10.1039/D4CY00491D. The accepted Manuscript and the Supplementary information are avilable within this repository.

 

If you use this dataset or any of the files within this repository, please cite the original publication (10.1039/D4CY00491D) in your work.
DOI: 10.15468/45kr38
title: Biodiversity inventory on the Miguel Hidalgo reservoir for the AFD, El Fuerte, Sinaloa, Mexico

description: These data were collected on behalf of the AFD at the Miguel Hidalgo reservoir and its surroundings (El Fuerte, Sinaloa, Mexico) during a rapid biodiversity inventory from February 26 to March 1, 2024. The project aims to increase CFE's renewable energy capacity by developing Mexico's first floating solar power plant. The inventory was conducted by a team of four experts in fish, botany, and avifauna (one international expert from Biotope and three national experts from ASES).
DOI: 10.5281/zenodo.8248525
title: Genotyping of European Toxoplasma gondii strains by a new high-resolution next-generation sequencing-based method

description: The data set comprises 164 FASTQ files generated with an Ion AmpliSeq-based genotyping method for <em>Toxoplasma gondii </em>and<em> </em>a BED file used for the design of the Ion AmpliSeq primer panel. The FASTA file named as "Tgondii_IonAmpliSeq_Reference_ME49" was used as a reference for mapping and data analysis of the FASTQ files. The FASTA file named as "Tgondii_IonAmpliSeq_Results_SNPs" includes all SNPs identified within the 164 FASTQ files relative to the reference.
DOI: 10.57967/hf/3557
title: DragonTCM
DOI: 10.15468/dl.ph29qu
title: Occurrence Download

description: A dataset containing 1639 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is FRA.11.8_1",
 "OccurrenceStatus is Present",
 "TaxonKey is Erinaceus europaeus Linnaeus, 1758"
 ]
}

 The dataset includes 1639 records from 47 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023218-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14064189
title: Neural basis of adolescent THC-induced potentiation of opioid responses later in life - cFos Sample Images

description: cFos samples from the brains used in our study. Each .tif file can be viewed in ImageJ to scroll through 3D sections centered in four different regions: Globus Pallidus externus (GPe), prelimbic area (PL), hippocampus, and midline group of the dorsal thalamus. These regions were selected to represent a wide sample of different tissues that might show different trends in over or undercounting of cFos-labeled cells. The files with ".count.tif" show the cells marked by ClearMap. Resampled versions of the whole brain cfos signal are also included as "*.cfos_resampled.tif"
DOI: 10.5281/zenodo.14064190
title: Neural basis of adolescent THC-induced potentiation of opioid responses later in life - cFos Sample Images

description: cFos samples from the brains used in our study. Each .tif file can be viewed in ImageJ to scroll through 3D sections centered in four different regions: Globus Pallidus externus (GPe), prelimbic area (PL), hippocampus, and midline group of the dorsal thalamus. These regions were selected to represent a wide sample of different tissues that might show different trends in over or undercounting of cFos-labeled cells. The files with ".count.tif" show the cells marked by ClearMap.
DOI: 10.5281/zenodo.14190694
title: Neural basis of adolescent THC-induced potentiation of opioid responses later in life - cFos Sample Images

description: cFos samples from the brains used in our study. Each .tif file can be viewed in ImageJ to scroll through 3D sections centered in four different regions: Globus Pallidus externus (GPe), prelimbic area (PL), hippocampus, and midline group of the dorsal thalamus. These regions were selected to represent a wide sample of different tissues that might show different trends in over or undercounting of cFos-labeled cells. The files with ".count.tif" show the cells marked by ClearMap. Resampled versions of the whole brain cfos signal are also included as "*.cfos_resampled.tif"
DOI: 10.6084/m9.figshare.27860982.v1
title: MHSI-Net.zip

description: Street identification in historical maps is essential for understanding urban historical landscapes and advancing heritage conservation. Traditional methods extract street characteristics through manually feature engineering, but limits the accuracy and generalizability. While deep learning methods have achieved automatic extraction of complex deep features, they still struggle to capture spatiotemporal variations in streets, resulting in limited performance and interpretability.To address this challenge, this study proposes a novel Multi-modal Historical Street Identification Network (MHSI-Net) that integrates street-related semantics to identify streets from specific construction periods in historical maps. It comprises three primary modules: multi-modal representation learning, multi-modal interactive fusion, and an interpretable attention-enhanced method. These modules are designed to extract features of street morphology from street images and network structure from street graph, facilitate cross-scale semantic fusion and capture local-global connections, and ultimately improve identification accuracy and interpretability.In the task of identifying Yuan streets (1267–1368) on the 1937 Beijing map, our model based on MHSI-Net demonstrated superior performance, outperforming existing benchmarks across various metrics, confirming the feasibility of multi-modal representation learning for fine-grained historical street identification. Additionally, the interpretable attention-enhanced method further improves both interpretability and accuracy regarding the morphological characteristics and spatial distribution of Yuan streets.
DOI: 10.15468/v27mh8
title: Cytochrome P 450 catalyses the 29 - carboxyl group formation of celastrol

description: This dataset contains the digitized treatments in Plazi based on the original journal article Zhou, Jiawei, Hu, Tianyuan, Liu, Yuan, Tu, Lichan, Song, Yadi, Lu, Yun, Zhang, Yifeng, Tong, Yuru, Zhao, Yujun, Su, Ping, Wu, Xiaoyi, Huang, Luqi, Gao, Wei (2021): Cytochrome P 450 catalyses the 29 - carboxyl group formation of celastrol. Phytochemistry (112868) 190: 1-10, DOI: 10.1016/j.phytochem.2021.112868, URL: http://dx.doi.org/10.1016/j.phytochem.2021.112868
DOI: 10.15468/dl.j43td5
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "PublishingCountry is Colombia",
 {
 "and" : [
 "Country is Colombia",
 {
 "not" : {
 "Issue" : [
 "is Country coordinate mismatch"
 ]
 }
 }
 ]
 }
 ]
 },
 "TaxonKey is one of (Dendropanax glaberrimus [GBIF Backbone Taxonomy])"
 ]
}

 The dataset includes 9 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0065355-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u5abny
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Saccolaimus mixtus Troughton, 1925"
 ]
}

 The dataset includes 27 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0073815-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fxmbc3
title: Occurrence Download

description: A dataset containing 542 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Erica seriphiifolia Salisb."
 ]
}

 The dataset includes 542 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046626-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3rmqsj
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tityus cerroazul Lourenço, 1986"
 ]
}

 The dataset includes 7 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001907-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yvp9wa
title: Occurrence Download

description: A dataset containing 1020424 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Belgium, Germany, Netherlands)",
 "TaxonKey is one of (Ondatra zibethicus (Linnaeus, 1766), Myocastor coypus (Molina, 1782))",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 1020424 records from 73 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010819-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mpv8jh
title: Occurrence Download

description: A dataset containing 44 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Erica setosa Bartl."
 ]
}

 The dataset includes 44 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046646-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g24anz
title: Occurrence Download

description: A dataset containing 51 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crucianella chlorostachys Fisch. & C.A.Mey."
 ]
}

 The dataset includes 51 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010829-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w0kqxe
title: Occurrence Download

description: A dataset containing 75 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tityus bastosi Lourenço, 1984"
 ]
}

 The dataset includes 75 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001906-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.84h44p
title: Occurrence Download

description: A dataset containing 3937 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Erodium laciniatum (Cav.) Willd."
 ]
}

 The dataset includes 3937 records from 143 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046655-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9gpgmn
title: Occurrence Download

description: A dataset containing 51 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Crocias langbianis Gyldenstolpe, 1939"
 ]
}

 The dataset includes 51 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050652-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xwague
title: Occurrence Download

description: A dataset containing 60 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tityus bahiensis (Perty, 1833)"
 ]
}

 The dataset includes 60 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001905-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.amsehr
title: Occurrence Download

description: A dataset containing 53 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Erica shannonea Andrews"
 ]
}

 The dataset includes 53 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046663-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jzpvv2
title: Occurrence Download

description: A dataset containing 42 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tityus confluens Borelli, 1899"
 ]
}

 The dataset includes 42 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001908-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uj657k
title: Occurrence Download

description: A dataset containing 14976 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eteone longa (Fabricius, 1780)",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 },
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is MANAGED"
 ]
 }
 },
 {
 "not" : {
 "EstablishmentMeans" : [
 "is not null"
 ]
 }
 }
 ]
 },
 {
 "or" : [
 "OccurrenceStatus is Present",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is not null"
 ]
 }
 }
 ]
 }
 ]
}

 The dataset includes 14976 records from 185 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050714-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ct84fu
title: Occurrence Download

description: A dataset containing 3810 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Digitalización y Sistematización de las Colecciones Biológicas Nacionales del Instituto de Biología, UNAM (Plantas vasculares)",
 "TaxonKey is Phaseolus L."
 ]
}

 The dataset includes 3810 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046610-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8fh32a
title: Occurrence Download

description: A dataset containing 877 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ericthonius rubricornis (Stimpson, 1853)",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 },
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is MANAGED"
 ]
 }
 },
 {
 "not" : {
 "EstablishmentMeans" : [
 "is not null"
 ]
 }
 }
 ]
 },
 {
 "or" : [
 "OccurrenceStatus is Present",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is not null"
 ]
 }
 }
 ]
 }
 ]
}

 The dataset includes 877 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050637-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bq3wov
title: Occurrence Download

description: A dataset containing 121 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tityus obscurus (Gervais, 1843)"
 ]
}

 The dataset includes 121 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001913-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zq965r
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Eugenia pterocarpa Baill."
 ]
}

 The dataset includes 5 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046635-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bsq0ty
title: Occurrence Download

description: A dataset containing 126 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tityus silvestris Pocock, 1897"
 ]
}

 The dataset includes 126 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001916-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xeqjqd
title: Occurrence Download

description: A dataset containing 59384 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Acacia melanoxylon R.Br."
 ]
}

 The dataset includes 59384 records from 347 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050640-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tz2tbe
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Erodium guinochetianum Guitt."
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046618-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.