cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.4p9s98
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ligularia nyingchiensis S.W.Liu"
 ]
}

 The dataset includes 6 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050859-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60732/71142b0d
title: OC22-S2EF-Validation-out-of-domain

description: Out-of-domain validation configurations for the structure to total energy and forces (S2EF) task of OC22. Open Catalyst 2022 (OC22) is a database of training trajectories for predicting catalytic reactions on oxide surfaces meant to complement OC20, which did not contain oxide surfaces.
DOI: 10.60732/7cc0df9e
title: NEP_PRB_2021

description: Approximately 7,000 distinct configurations of 2D-silicene, silicon, and PbTe. Silicon data used from http://dx.doi.org/10.1103/PhysRevX.8.041048. Dataset includes predicted force, potential energy and virial values.
DOI: 10.60732/009ff6b1
title: TdS-PdV_Atari5200

description: Approximately 45,000 configurations of metal oxides of Mg, Ag, Pt, Cu and Zn, with initial training structures taken from the Materials Project database.
DOI: 10.15468/dl.ynrnnx
title: Occurrence Download

description: A dataset listing the 136 species recorded in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "GadmGid is USA.50_1",
 "OccurrenceStatus is Present",
 "TaxonKey is Clitellata"
 ]
}

 The dataset's 136 records were derived from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050795-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60732/7500db4b
title: WBe_PRB2019

description: This data set was originally used to generate a multi-component linear SNAP potential for tungsten and beryllium as published in Wood, M. A., et. al. Phys. Rev. B 99 (2019) 184305. This data set was developed for the purpose of studying plasma material interactions in fusion reactors.
DOI: 10.15468/dl.u8dfv6
title: Occurrence Download

description: A dataset containing 123 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Maianthemum lichiangense (W.W.Sm.) LaFrankie"
 ]
}

 The dataset includes 123 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050860-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60732/3827e5e1
title: mlearn_Mo_train

description: A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to span a variety of chemistries (main group metal, transition metal, and semiconductor), crystal structures (bcc, fcc, and diamond) and bonding types (metallic and covalent). This dataset comprises only the Mo configurations
DOI: 10.60732/c459d6f4
title: sGDML_Malonaldehyde_ccsdt_NC2018_test

description: The test set of a train/test pair from the malonaldehyde dataset from sGDML. To create the coupled cluster datasets, the data used for training the models were created by running ab initio MD in the NVT ensemble using the Nosé-Hoover thermostat at 500 K during a 200 ps simulation with a resolution of 0.5 fs. Energies and forces were recalculated using all-electron coupled cluster with single, double and perturbative triple excitations (CCSD(T)). The Dunning correlation-consistent basis set cc-pVDZ was used for malonaldehyde. All calculations were performed with the Psi4 software suite.
DOI: 10.60732/5bd01ed9
title: ANI-2x-wB97MD3BJ-def2TZVPP

description: ANI-2x-wB97MD3BJ-def2TZVPP is a portion of the ANI-2x dataset, which includes DFT-calculated energies for structures from 2 to 63 atoms in size containing H, C, N, O, S, F, and Cl. This portion of ANI-2x was calculated in ORCA at the wB97M level of theory with D3 and BJ energy corrections, using the def2-TZVPP basis set. Configuration sets are divided by number of atoms per structure. Uncorrected SCF energy values and dipoles are recorded in the metadata.
DOI: 10.60732/91b60711
title: JARVIS_AGRA_CHO

description: The JARVIS_AGRA_CHO dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This dataset contains data from the CO2 reduction reaction (CO2RR) dataset from Chen et al., as used in the automated graph representation algorithm (AGRA) training dataset: a collection of DFT training data for training a graph representation method to extract the local chemical environment of metallic surface adsorption sites. JARVIS is a set of tools and datasets built to meet current materials design challenges.
DOI: 10.60732/7980ece8
title: 23-Single-Element-DNPs_RSCDD_2023-Sb

description: Configurations of Sb from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for individual elements for the purpose of providing input to machine learning of deep neural network potentials (DNPs). Each element set contains on average ~4000 structures with 27 atoms per structure. Configuration metadata includes Materials Project ID where available, as well as temperatures at which MD trajectories were calculated.These temperatures correspond to the melting temperature (MT) and 0.25*MT for elements with MT &lt; 2000K, and MT, 0.6*MT and 0.25*MT for elements with MT &gt; 2000K.
DOI: 10.15468/dl.64gybj
title: Occurrence Download

description: A dataset containing 117 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lysidice brevicalyx C.F.Wei"
 ]
}

 The dataset includes 117 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050861-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60732/2146db76
title: 23-Single-Element-DNPs_RSCDD_2023-Nb

description: Configurations of Nb from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for individual elements for the purpose of providing input to machine learning of deep neural network potentials (DNPs). Each element set contains on average ~4000 structures with 27 atoms per structure. Configuration metadata includes Materials Project ID where available, as well as temperatures at which MD trajectories were calculated.These temperatures correspond to the melting temperature (MT) and 0.25*MT for elements with MT &lt; 2000K, and MT, 0.6*MT and 0.25*MT for elements with MT &gt; 2000K.
DOI: 10.15468/dl.wv2fjr
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Macrosphyra brachysiphon Wernham"
 ]
}

 The dataset includes 7 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050862-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60732/56a0adb7
title: OC20_S2EF_train_200K

description: OC20_S2EF_train_200K is the 200K subset of the OC20 Structure to Energy and Forces dataset.
DOI: 10.60732/ef83b761
title: mlearn_Ni_test

description: A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to span a variety of chemistries (main group metal, transition metal, and semiconductor), crystal structures (bcc, fcc, and diamond) and bonding types (metallic and covalent). This dataset comprises only the Ni configurations
DOI: 10.15468/dl.z3f72z
title: Occurrence Download

description: A dataset containing 260 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Menodora africana Hook."
 ]
}

 The dataset includes 260 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050863-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60732/e9f3507f
title: Chig-AIMD_scaffold_test

description: Test configurations from the 'scaffold' split of Chig-AIMD. This dataset covers the conformational space of chignolin with DFT-level precision. We sequentially applied replica exchange molecular dynamics (REMD), conventional MD, and ab initio MD (AIMD) simulations on a 10 amino acid protein, Chignolin, and finally collected 2 million biomolecule structures with quantum level energy and force records.
DOI: 10.60732/88a37621
title: BOTnet_ACAC_2022_H_transfer

description: NEB path of proton transfer reaction between the two forms of acetylacetone. Acetylacetone dataset generated from a long molecular dynamics simulation at 300 K using a Langevin thermostat at the semi-empirical GFN2-xTB level of theory. Configurations were sampled at an interval of 1 ps and the resulting set of configurations were recomputed with density functional theory using the PBE exchange-correlation functional with D3 dispersion correction and def2-SVP basis set and VeryTightSCF convergence settings using the ORCA electronic structure package.
DOI: 10.5281/zenodo.10891930
title: Supplementary Files for "Evaluation of Particle Tracking Codes for Dispersing Particles in Porous Media"
DOI: 10.5281/zenodo.10891931
title: Supplementary Files for "Evaluation of Particle Tracking Codes for Dispersing Particles in Porous Media"
DOI: 10.60732/c6e1f25a
title: WS22_toluene

description: Configurations of toluene from WS22. The WS22 database combines Wigner sampling with geometry interpolation to generate 1.18 million molecular geometries equally distributed into 10 independent datasets of flexible organic molecules with varying sizes and chemical complexity. In addition to the potential energy and forces required to construct potential energy surfaces, the WS22 database provides several other quantum chemical properties, all obtained via single-point calculations for each molecular geometry. All quantum chemical calculations were performed with the Gaussian 09 program.
DOI: 10.60732/f26a9f60
title: Transition1x-test

description: The test split of the Transition1x dataset. Transition1x is a benchmark dataset containing 9.6 million Density Functional Theory (DFT) calculations of forces and energies of molecular configurations on and around reaction pathways at the ωB97x/6-31 G(d) level of theory. The configurations contained in this dataset allow a better representation of features in transition state regions when compared to other benchmark datasets -- in particular QM9 and ANI1x.
DOI: 10.15468/dl.y6gcru
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ligularia odontomanes Hand.-Mazz."
 ]
}

 The dataset includes 34 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050865-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mhptgn
title: Occurrence Download

description: A dataset containing 171 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mazus delavayi Bonati"
 ]
}

 The dataset includes 171 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050864-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7kg826
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Maianthemum nanchuanense H.Li & J.L.Huang"
 ]
}

 The dataset includes 10 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050866-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.95u79p
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Macrosphyra brachystylis Hiern"
 ]
}

 The dataset includes 72 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050867-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tm776b
title: Occurrence Download

description: A dataset containing 416 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lysidice rhodostegia Hance"
 ]
}

 The dataset includes 416 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050868-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2tgdsx
title: Occurrence Download

description: A dataset containing 1353 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Menodora heterophylla Moric. ex DC."
 ]
}

 The dataset includes 1353 records from 60 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050869-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.44v8an
title: Occurrence Download

description: A dataset containing 39 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ligularia oligonema Hand.-Mazz."
 ]
}

 The dataset includes 39 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050870-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.799wgf
title: Occurrence Download

description: A dataset containing 30 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mazus dentatus Wall. ex Benth."
 ]
}

 The dataset includes 30 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050871-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p5ksbr
title: Occurrence Download

description: A dataset containing 214 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Maianthemum oleraceum (Baker) LaFrankie"
 ]
}

 The dataset includes 214 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050872-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nr59bt
title: Occurrence Download

description: A dataset containing 1259 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Macrosphyra longistyla (DC.) Hook.f. ex Hiern"
 ]
}

 The dataset includes 1259 records from 82 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050873-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.q3eea4
title: Occurrence Download

description: A dataset containing 889 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lysimachia acroadenia Maxim."
 ]
}

 The dataset includes 889 records from 60 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050874-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4t45vy
title: Occurrence Download

description: A dataset containing 65 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Menodora juncea Harv."
 ]
}

 The dataset includes 65 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050875-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wxmukt
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ligularia pachycarpa (C.B.Clarke ex Hook.fil.) Kitam."
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050876-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a9ezfc
title: Occurrence Download

description: A dataset containing 1299 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mazus fauriei Bonati"
 ]
}

 The dataset includes 1299 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050877-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cp84hf
title: Occurrence Download

description: A dataset containing 543 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Maianthemum purpureum (Wall.) LaFrankie"
 ]
}

 The dataset includes 543 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050878-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dbkwh6
title: Occurrence Download

description: A dataset containing 71 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lysimachia adoensis (Kunze) Klatt"
 ]
}

 The dataset includes 71 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050880-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.92mzhk
title: Occurrence Download

description: A dataset containing 44 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Macrostylis barbigera (L.fil.) Bartl. & H.L.Wendl."
 ]
}

 The dataset includes 44 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050879-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yvwpxa
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mentha alaica Boriss."
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050881-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.59ec4y
title: Occurrence Download

description: A dataset containing 69 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ligularia paradoxa Hand.-Mazz."
 ]
}

 The dataset includes 69 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050882-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e325wg
title: Occurrence Download

description: A dataset containing 650 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "PublishingCountry is Colombia",
 {
 "and" : [
 "Country is Colombia",
 {
 "not" : {
 "Issue" : [
 "is Country coordinate mismatch"
 ]
 }
 }
 ]
 }
 ]
 },
 {
 "or" : [
 "Locality ~Ucumari",
 "Locality ~Ucumarí",
 "Locality ~Parque regional Ucumari",
 "Locality ~Parque regional ucumarí",
 "Locality ~parque regional natural ucumari",
 "Locality ~parque regional natural ucumarí"
 ]
 }
 ]
}

 The dataset includes 650 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050883-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6nqg6v
title: Occurrence Download

description: A dataset containing 19 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mazus fukienensis P.C.Tsoong"
 ]
}

 The dataset includes 19 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050884-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vg5g6x
title: Occurrence Download

description: A dataset containing 147 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lysimachia albescens Franch."
 ]
}

 The dataset includes 147 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050885-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yawga2
title: Occurrence Download

description: A dataset containing 73 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Macrostylis cassiopoides (Turcz.) I.Williams"
 ]
}

 The dataset includes 73 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050886-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ctbk4w
title: Occurrence Download

description: A dataset containing 1023630 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Coccothraustes coccothraustes (Linnaeus, 1758)"
 ]
}

 The dataset includes 1023630 records from 2048 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050805-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15156/bio/sh1251918.08fu
title: SH1251918.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.