cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15673360
title: dataset for DPχ

description: The original data for each figures

fig.01b.tar.gz

The raw data corresponding to Fig. 1b in the paper, which compares the values of χ and χ+μ obtained directly from Bader-basin centroids (BCs) and from DFT.

fig.03.tar.gz  

For the structures corresponding to Fig. 3a, b, c, e, f, the following files are provided:

00.dft_locpot: plane-averaged local potential from DFT,

01.dft_fs_bcxyz: Bader-basin centroids predicted by DFT,

01.dft_pot: electrode and water potential potential computed from the DFT BCs,

02.lmp_fs_bcxyz: Bader-basin centroids predicted by DPχ,

02.lmp_pot: electrode and water potential computed from the DPχ based Bader-basin centroids.

For Fig.3d, d.full_pot provides the comparison of five complete full-potential profiles.

fig.04.tar.gz  

Datasets a, b, and c_d correspond to the data shown in Fig. 4a–d of the main text.

a contains the trajectory set used to compute the barrier via the slow-growth method.

b provides the electrode potential simulation results for Pt(111) from four referenced studies (also shown in Fig. S7).

c_d includes the structures used for VDOS calculations.

fig.05.7z.001-005  

The three folders correspond to Volmer reaction trajectories for three different system sizes. Each folder contains results for: 01.before.lammpstrj (before the reaction), 02.reaction.lammpstrj (during the reaction), and 03.after.lammpstrj (after the reaction). Their respective dump frequencies are 30 fs, 10 fs, and 30 fs. The mapping of atomic IDs to element types is provided in uniq_element_list.

structures_used_in_training.tar.gz

Each folder contains an atoms_all.xyz file covering the structures used for benchmarking in this work. Note that folders named like pt-h-w include both H*-covered and H*-free structures. Also note that the H₂ structures shown in Fig. 6 are not included here.
DOI: 10.15468/dl.r2hujn
title: Occurrence Download

description: A dataset containing 204 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Canada",
 "HasCoordinate is true"
 ]
}

 The dataset includes 204 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012900-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mcxr4z
title: Occurrence Download

description: A dataset containing 19 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Brazil",
 "HasCoordinate is true"
 ]
}

 The dataset includes 19 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012896-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rhfpmq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Anablepsoides jari)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012897-250827131500795/datasets/export for details.
DOI: 10.6084/m9.figshare.26130907
title: Drought legacies delay spring green up in northern ecosystems

description: This version of the code is including four parts:<br>(1) <code>phenology_extraction</code> for retrieving plant phenological phases,<br>(2) <code>drought_identification</code> for detecting drought events,<br>(3) <code>drought_legacy</code> for assessing legacy effects of drought on spring phenology, and<br>(4) <code>drought_legacy_analysis</code> for investigating underlying mechanisms using Random Forest (RF) and Structural Equation Modeling (SEM).<br>For further details, please contact liu_ying@cau.edu.cn.
DOI: 10.6084/m9.figshare.26130907.v11
title: Drought legacies delay spring green up in northern ecosystems

description: This version of the code comprises four main components: phenology extraction (1. phenology_extraction), drought event identification (2. drought_identification), analysis of drought legacy effects on spring phenology (3. drought_legacy), and investigation of the mechanisms underlying drought legacy effects using Random Forest (RF) and Structural Equation Modeling (SEM) (4. drought_legacy_analysis).
DOI: 10.6084/m9.figshare.26130907.v12
title: Drought legacies delay spring green up in northern ecosystems

description: This version of the code is including four parts:<br>(1) <code>phenology_extraction</code> for retrieving plant phenological phases,<br>(2) <code>drought_identification</code> for detecting drought events,<br>(3) <code>drought_legacy</code> for assessing legacy effects of drought on spring phenology, and<br>(4) <code>drought_legacy_analysis</code> for investigating underlying mechanisms using Random Forest (RF) and Structural Equation Modeling (SEM).<br>For further details, please contact liu_ying@cau.edu.cn.
DOI: 10.15468/dl.cxjq43
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Bulgaria",
 "HasCoordinate is true"
 ]
}

 The dataset includes 9 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012898-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.weuj3u
title: Occurrence Download

description: A dataset containing 2733 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gentiana saponaria"
 ]
}

 The dataset includes 2733 records from 166 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012901-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wgdbs9
title: Occurrence Download

description: A dataset containing 273 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Czechia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 273 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012902-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t7qt24
title: Occurrence Download

description: A dataset containing 55 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Denmark",
 "HasCoordinate is true"
 ]
}

 The dataset includes 55 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012903-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cp8c9a
title: Occurrence Download

description: A dataset containing 122 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Tilapia ruweti)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 122 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012906-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ucz5et
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Estonia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012905-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9qg2vm
title: Occurrence Download

description: A dataset containing 191 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gentiana pubigera"
 ]
}

 The dataset includes 191 records from 42 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012904-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vbtkbf
title: Occurrence Download

description: A dataset listing the 14 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-161.98162 25.61522,-70.01838 25.61522,-70.01838 62.38478,-161.98162 62.38478,-161.98162 25.61522))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Pleromelloida"
 ]
}

 The dataset's 14 records were derived from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012885-250827131500795/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.30018610.v1
title: Gene annotation of FDDB (version 1)

description: Gene annotation files of consensus and haplotypes of FDDB
DOI: 10.6084/m9.figshare.30018610
title: Gene annotation of FDDB (version 1)

description: Gene annotation files of consensus and haplotypes of FDDB
DOI: 10.15468/dl.tet53r
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Geranium maculatum"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012910-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zu5bws
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Latvia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 21 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012913-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.555s93
title: Occurrence Download

description: A dataset containing 850 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Japan",
 "HasCoordinate is true"
 ]
}

 The dataset includes 850 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012912-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qbfdbw
title: Occurrence Download

description: A dataset containing 807 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Galaxias pullus)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 807 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012914-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dfb8tm
title: Occurrence Download

description: A dataset containing 9097 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Germany",
 "HasCoordinate is true"
 ]
}

 The dataset includes 9097 records from 42 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012911-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aywhjm
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Geranium maculatum"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012915-250827131500795/datasets/export for details.
DOI: 10.15468/dl.bbazn8
title: Occurrence Download

description: A dataset containing 16 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Lithuania",
 "HasCoordinate is true"
 ]
}

 The dataset includes 16 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012916-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3dk7j5
title: Occurrence Download

description: A dataset containing 22 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Madagascar",
 "HasCoordinate is true"
 ]
}

 The dataset includes 22 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012917-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.axchdg
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Marshall Islands",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012918-250827131500795/datasets/export for details.
DOI: 10.15468/dl.3ukyvu
title: Occurrence Download

description: A dataset containing 552 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Farlowella vittata)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 552 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012919-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z7267e
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pelargonium maculatum"
 ]
}

 The dataset includes 4 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012920-250827131500795/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.30018616
title: data.zip

description: A machine learning model that takes input drug SMILES, amino acid sequence and outputs predicted EC50 value.
DOI: 10.6084/m9.figshare.30018616.v1
title: data.zip

description: A machine learning model that takes input drug SMILES, amino acid sequence and outputs predicted EC50 value.
DOI: 10.34740/kaggle/dsv/12581158
title: AY_NYC_2019
DOI: 10.15468/dl.n4mj75
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Mauritius",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012921-250827131500795/datasets/export for details.
DOI: 10.15468/dl.jp6f6c
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Mexico",
 "HasCoordinate is true"
 ]
}

 The dataset includes 6 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012922-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z59u2q
title: Occurrence Download

description: A dataset containing 5182 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eragrostis minor",
 "Country is Netherlands",
 "HasCoordinate is true"
 ]
}

 The dataset includes 5182 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012923-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17011227
title: test

description: Test for personal publish service
DOI: 10.15468/dl.uc3kej
title: Occurrence Download

description: A dataset containing 9492 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Agalinis purpurea"
 ]
}

 The dataset includes 9492 records from 202 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012924-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13145/bacdive102646.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102647.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102648.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102649.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102650.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102651.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102652.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102653.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102654.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102655.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102656.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102657.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102658.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102659.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102660.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102661.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102662.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102663.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102664.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102665.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102666.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102667.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102668.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102669.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102670.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102671.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive102672.20191129.4.1
title: Arthrobacter sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.