cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17799339
title: GAP interatomic potential for CLi

description: This is a Gaussian approximation potential (GAP [1]) for carbon and lithium. The potential can be used to model lithium in carbon materials, including hard carbon, C60, defected graphite and amorphous carbon. This potential is composed of a reference carbon GAP [2] and a delta-GAP which represents the energy (or forces) difference induced by Li insertion into carbon matrices.

It has been fitted with gap_fit [3] by generating a new database of atomic structures containing dimers, C60 isomers, nanoporous carbon, defected graphite and amorphous carbon. 

The calculations were carried out at the PBE level of theory [4] using the VASP code [5, 6]. This potential uses 2-body (distance_2b) and SOAP (soap_turbo) [7, 8] descriptors. The files can be used both with QUIP/GAP (compiled with the soap_turbo librairies) and TurboGAP [9].

A reference to the relevant paper with more details and applications of the potential will be published here when they are available.
DOI: 10.5281/zenodo.17799338
title: GAP interatomic potential for CLi

description: This is a Gaussian approximation potential (GAP [1]) for carbon and lithium. The potential can be used to model lithium in carbon materials, including hard carbon, C60, defected graphite and amorphous carbon. This potential is composed of a reference carbon GAP [2] and a delta-GAP which represents the energy (or forces) difference induced by Li insertion into carbon matrices.

It has been fitted with gap_fit [3] by generating a new database of atomic structures containing dimers, C60 isomers, nanoporous carbon, defected graphite and amorphous carbon. 

The calculations were carried out at the PBE level of theory [4] using the VASP code [5, 6]. This potential uses 2-body (distance_2b) and SOAP (soap_turbo) [7, 8] descriptors. The files can be used both with QUIP/GAP (compiled with the soap_turbo librairies) and TurboGAP [9].

A reference to the relevant paper with more details and applications of the potential will be published here when they are available.
DOI: 10.15468/dl.7ezydr
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "ScientificName" : [
 "is Spermestes griseicapilla"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024788-251120083545085/datasets/export for details.
DOI: 10.15468/dl.r96mju
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "ScientificName" : [
 "is Lagonosticta senegala"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024790-251120083545085/datasets/export for details.
DOI: 10.15468/dl.c2cs92
title: Occurrence Download

description: A dataset containing 1663 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Parnassius apollo",
 "Country is Spain",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "Year is greater than or equal to 2020"
 ]
}

 The dataset includes 1663 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024792-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8srbmu
title: Occurrence Download

description: A dataset containing 1072 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Russian Federation",
 "TaxonKey is Prunus padus"
 ]
}

 The dataset includes 1072 records from 57 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024787-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17802018
title: STAR4BBS D4.3 Report on the testing and ranking_Supplementary Material 13

description: This dataset contains results from the testing of the BIOBASEDCERT Monitoring Tool. It is the 13th Supplementary Material from D4.3 Testing and Ranking.
DOI: 10.5281/zenodo.17802019
title: STAR4BBS D4.3 Report on the testing and ranking_Supplementary Material 13

description: This dataset contains results from the testing of the BIOBASEDCERT Monitoring Tool. It is the 13th Supplementary Material from D4.3 Testing and Ranking.
DOI: 10.15468/dl.6brztn
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Bryophyte collection of the Botanical Museum, University of Oulu (OULU)",
 "Country is Croatia"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024793-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34810/data2800
title: Replication data for: The Economic Impact of Jurisdictional Lordship in Communities under Lay Lords in Catalonia

description: This dataset includes several figures on the demographics and the composition of seigneurial incomes in the county of Empúries between the mid-14th and end-15th centuries. On the one hand, it contains information on the number of hearths and the estimates of the county’s total population, along with those of the main urban centers in this territory. On the other hand, it provides a detailed picture of the revenues received by the holders of the county’s jurisdiction in the town of Castelló d’Empúries and other places within this seigneurial domain.
DOI: 10.15468/dl.7d6h8r
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Megaerops niphanae",
 {
 "or" : [
 "Country is China",
 "Country is Chinese Taipei",
 "Country is Hong Kong"
 ]
 }
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024794-251120083545085/datasets/export for details.
DOI: 10.15468/dl.fkxhyn
title: Occurrence Download

description: A dataset containing 51 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Collection Ichthyologie - SNSD",
 "Country is Croatia"
 ]
}

 The dataset includes 51 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024795-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vfnu5e
title: Occurrence Download

description: A dataset containing 1442 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tracheophyta",
 "DecimalLatitude is greater than or equal to -50.914722",
 "DecimalLatitude is less than or equal to -45.914722",
 "DecimalLongitude is greater than or equal to 65.0",
 "DecimalLongitude is less than or equal to 70.0",
 "HasCoordinate is TRUE",
 "HasGeospatialIssue is FALSE"
 ]
}

 The dataset includes 1442 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024797-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.65k5sk
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Dioscorea itatiensis"
 ]
}

 The dataset includes 9 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024799-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nvn9wt
title: Occurrence Download

description: A dataset containing 404 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bettongia tropica",
 "HasCoordinate is TRUE"
 ]
}

 The dataset includes 404 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024798-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wesaq2
title: Occurrence Download

description: A dataset listing the 7525 species recorded in GBIF matching the query:
{
 "and" : [
 "Country is India",
 "DatasetKey is India Biodiversity Portal publication grade dataset"
 ]
}

 The dataset's 7525 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024776-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17802026
title: Transformed and standardized validation set (rice chromosome 11)

description: This dataset is used for hyperparameter optimization of binary classifier models trained on ESM-1v transformed and standardized protein sequence representations for predicting highly conserved sites in plant genomes.
DOI: 10.5281/zenodo.17802028
title: Transformed and standardized validation set (rice chromosome 11)

description: This dataset is used for hyperparameter optimization of binary classifier models trained on ESM-1v transformed and standardized protein sequence representations for predicting highly conserved sites in plant genomes.
DOI: 10.5517/ccdc.csd.cc2nl0s2
title: CCDC 2460184: Experimental Crystal Structure Determination

description: Related Article: David Sánchez-Roa, Jasmin Kocher, Andreu Tortajada, Eva Hevia|2025|Synthesis|57|3283|doi:10.1055/a-2651-2367
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2npqy1
title: CCDC 2463754: Experimental Crystal Structure Determination

description: Related Article: Qian Wu, Chen Wang, Shi-Gui Zhu, Zhen-Zhong Lu, Zhong-Fu An|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01412
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2npqz2
title: CCDC 2463755: Experimental Crystal Structure Determination

description: Related Article: Qian Wu, Chen Wang, Shi-Gui Zhu, Zhen-Zhong Lu, Zhong-Fu An|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01412
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2npr04
title: CCDC 2463756: Experimental Crystal Structure Determination

description: Related Article: Qian Wu, Chen Wang, Shi-Gui Zhu, Zhen-Zhong Lu, Zhong-Fu An|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01412
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2nprmr
title: CCDC 2463775: Experimental Crystal Structure Determination

description: Related Article: Ruohan Wang, Xiaodong Si, Le Mei, Wenkai Zhao, Wendi Shi, Xian-Kai Chen, Guangkun Song, Longyu Li, Zheng Xiao, Zhaoyang Yao, Guankui Long, Chenxi Li, Xiangjian Wan, Yongsheng Chen|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c13302
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2npyp0
title: CCDC 2463963: Experimental Crystal Structure Determination

description: Related Article: Ling Chen, Xiao-Qin Ma, Hai-Li Wu, Shun Zhang, Jie-Feng Chen, Ning Lin, Qing Chen|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01202
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2nqkcb
title: CCDC 2464542: Experimental Crystal Structure Determination

description: Related Article: Yulian Li, Qiaoqiao Li, Rui Zhang, Cangsong Liao|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c13402
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2nqkgf
title: CCDC 2464545: Experimental Crystal Structure Determination

description: Related Article: Yulian Li, Qiaoqiao Li, Rui Zhang, Cangsong Liao|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c13402
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv0cs
title: CCDC 1454965: Experimental Crystal Structure Determination

description: Related Article: James D. Nobbs, Kai Bin Jonathan Chan, Sigit Sugiarto, Choon Boon Cheong, Min Jean Chua, Cun Wang, Ludger Paul Stubbs, Han Vinh Huynh, Martin van Meurs|2025|Organometallics|||doi:10.1021/acs.organomet.5c00347
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8hcv
title: CCDC 2480817: Experimental Crystal Structure Determination

description: Related Article: Dongjing Hong|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8j5p
title: CCDC 2480842: Experimental Crystal Structure Determination

description: Related Article: Dongjing Hong|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8kl4
title: CCDC 2480886: Experimental Crystal Structure Determination

description: Related Article: KAMALIKA PRUSTY|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8lf0
title: CCDC 2480912: Experimental Crystal Structure Determination

description: Related Article: J. T. Mague, M. El Hafi|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8t5z
title: CCDC 2481121: Experimental Crystal Structure Determination

description: Related Article: Dongjing Hong|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8t60
title: CCDC 2481122: Experimental Crystal Structure Determination

description: Related Article: Dongjing Hong|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8n4s
title: CCDC 2480965: Experimental Crystal Structure Determination

description: Related Article: Aishwarya Shelke, Kartikey Singh, Suvarn S. Kulkarni|2025|Org.Lett.|27|10576|doi:10.1021/acs.orglett.5c03476
description: Related Article: Aishwarya Shelke, Kartikey Singh, Suvarn S Kulkarni|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p8n5t
title: CCDC 2480966: Experimental Crystal Structure Determination

description: Related Article: Aishwarya Shelke, Kartikey Singh, Suvarn S. Kulkarni|2025|Org.Lett.|27|10576|doi:10.1021/acs.orglett.5c03476
description: Related Article: Aishwarya Shelke, Kartikey Singh, Suvarn S Kulkarni|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.869bvf
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "ScientificName" : [
 "is Buteo auguralis"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024800-251120083545085/datasets/export for details.
DOI: 10.5517/ccdc.csd.cc2p8sd5
title: CCDC 2481097: Experimental Crystal Structure Determination

description: Related Article: Erjuan Xu|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p9d2h
title: CCDC 2481676: Experimental Crystal Structure Determination

description: Related Article: Chuan Feng, Xiong Cheng, Zhihui Xiang, Jiwei Peng, Yimou Gong, Siping Wei, Qiang Fu, Zhijie Zhang|2025|Org.Lett.|||doi:10.1021/acs.orglett.5c03602
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p9kh2
title: CCDC 2481844: Experimental Crystal Structure Determination

description: Related Article: Yuta Iino, Yasuyuki Matsushima, Kosuke Nakashima, Shin-ichi Hirashima, Tsuyoshi Miura|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c02517
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ncvjf
title: CCDC 2454255: Experimental Crystal Structure Determination

description: Related Article: Shu-Yan Liang,  Zi-Yi Wu,  Sheng Hu|2025|J.Cluster Sci.|36|195|doi:10.1007/s10876-025-02922-y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2p9sg8
title: CCDC 2482060: Experimental Crystal Structure Determination

description: Related Article: Yuan Li, Xin-Yun Zhong, Guo-Dong Zhu, Zhi-Yang Zhou, Min Shen, Yong Peng, Xiang-Jun Peng|2026|Tetrahedron|190|135030|doi:10.1016/j.tet.2025.135030
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ncvkg
title: CCDC 2454256: Experimental Crystal Structure Determination

description: Related Article: Shu-Yan Liang,  Zi-Yi Wu,  Sheng Hu|2025|J.Cluster Sci.|36|195|doi:10.1007/s10876-025-02922-y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.