cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1mj5kw
title: CCDC 1505098: Experimental Crystal Structure Determination

description: Related Article: Zhao-Jing Liu,  Xi Lu,  Guan Wang,  Lei Li,  Wei-Tao Jiang,  Yu-Dong Wang,  Bin Xiao,  and Yao Fu|2016|J.Am.Chem.Soc.|138|9714|doi:10.1021/jacs.6b05788
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.cc1mj5lx
title: CCDC 1505099: Experimental Crystal Structure Determination

description: Related Article: Zhao-Jing Liu,  Xi Lu,  Guan Wang,  Lei Li,  Wei-Tao Jiang,  Yu-Dong Wang,  Bin Xiao,  and Yao Fu|2016|J.Am.Chem.Soc.|138|9714|doi:10.1021/jacs.6b05788
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.cc1mj5my
title: CCDC 1505100: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Yang,  Ying He,  and F. Dean Toste|2016|J.Am.Chem.Soc.|138|9775|doi:10.1021/jacs.6b05939
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.cc1mj5nz
title: CCDC 1505101: Experimental Crystal Structure Determination

description: Related Article: Yang Yang,  Ian B. Perry,  and Stephen L. Buchwald|2016|J.Am.Chem.Soc.|138|9787|doi:10.1021/jacs.6b06299
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.cc1lsk20
title: CCDC 1483352: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1mj5p0
title: CCDC 1505102: Experimental Crystal Structure Determination

description: Related Article: Yang Yang,  Ian B. Perry,  and Stephen L. Buchwald|2016|J.Am.Chem.Soc.|138|9787|doi:10.1021/jacs.6b06299
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.cc1lsgwq
title: CCDC 1483284: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1lw6vj
title: CCDC 1485918: Experimental Crystal Structure Determination

description: Related Article: Takahiro Sawano,  Zekai Lin,  Dean Boures,  Bing An,  Cheng Wang,  and Wenbin Lin|2016|J.Am.Chem.Soc.|138|9783|doi:10.1021/jacs.6b06239
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.cc1lsh0w
title: CCDC 1483288: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1lw6wk
title: CCDC 1485919: Experimental Crystal Structure Determination

description: Related Article: Takahiro Sawano,  Zekai Lin,  Dean Boures,  Bing An,  Cheng Wang,  and Wenbin Lin|2016|J.Am.Chem.Soc.|138|9783|doi:10.1021/jacs.6b06239
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.cc1lsgvp
title: CCDC 1483283: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1lsgzt
title: CCDC 1483287: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1mj5q1
title: CCDC 1505103: Experimental Crystal Structure Determination

description: Related Article: Lauren M. Chapman,  Jordan C. Beck,  Linglin Wu,  and Sarah E. Reisman|2016|J.Am.Chem.Soc.|138|9803|doi:10.1021/jacs.6b07229
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.cc1lsgsm
title: CCDC 1483281: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1lsgxr
title: CCDC 1483285: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1lsgtn
title: CCDC 1483282: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1lsgys
title: CCDC 1483286: Experimental Crystal Structure Determination

description: Related Article: Qing He,  Zhan Zhang,  James T. Brewster,  Vincent M. Lynch,  Sung Kuk Kim,  and Jonathan L. Sessler|2016|J.Am.Chem.Soc.|138|9779|doi:10.1021/jacs.6b05713
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.cc1mj5r2
title: CCDC 1505104: Experimental Crystal Structure Determination

description: Related Article: Luis G. Perla and Slavi C. Sevov|2016|J.Am.Chem.Soc.|138|9795|doi:10.1021/jacs.6b06545
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.cc1mj5s3
title: CCDC 1505105: Experimental Crystal Structure Determination

description: Related Article: Luis G. Perla and Slavi C. Sevov|2016|J.Am.Chem.Soc.|138|9795|doi:10.1021/jacs.6b06545
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.cc1mj5t4
title: CCDC 1505106: Experimental Crystal Structure Determination

description: Related Article: Guilherme A. M. Jardim,  John F. Bower,  Eufrânio N. da Silva Júnior|2016|Org.Lett.|18|4454|doi:10.1021/acs.orglett.6b01586
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.cc1mj5v5
title: CCDC 1505107: Experimental Crystal Structure Determination

description: Related Article: Guilherme A. M. Jardim,  John F. Bower,  Eufrânio N. da Silva Júnior|2016|Org.Lett.|18|4454|doi:10.1021/acs.orglett.6b01586
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.cc1mj5w6
title: CCDC 1505108: Experimental Crystal Structure Determination

description: Related Article: Guilherme A. M. Jardim,  John F. Bower,  Eufrânio N. da Silva Júnior|2016|Org.Lett.|18|4454|doi:10.1021/acs.orglett.6b01586
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.cc1mj5x7
title: CCDC 1505109: Experimental Crystal Structure Determination

description: Related Article: Olga I. Shmatova,  Victor N. Khrustalev,  Valentine G. Nenajdenko|2016|Org.Lett.|18|4494|doi:10.1021/acs.orglett.6b02031
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.cc1mj5y8
title: CCDC 1505110: Experimental Crystal Structure Determination

description: Related Article: Sihuai Chen, Valeriu Mereacre, George E. Kostakis, Christopher E. Anson, Annie K. Powell|2017|Inorg.Chem.Front.|4|927|doi:10.1039/C7QI00091J
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.cc1mj5z9
title: CCDC 1505111: Experimental Crystal Structure Determination

description: Related Article: Sihuai Chen, Valeriu Mereacre, George E. Kostakis, Christopher E. Anson, Annie K. Powell|2017|Inorg.Chem.Front.|4|927|doi:10.1039/C7QI00091J
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.cc1m1cfg
title: CCDC 1490865: Experimental Crystal Structure Determination

description: Related Article: Seyong Kim,  Junyong Jo,  Dongwhan Lee|2016|Org.Lett.|18|4530|doi:10.1021/acs.orglett.6b02140
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.cc1mj60c
title: CCDC 1505112: Experimental Crystal Structure Determination

description: Related Article: Johan Cornil,  Pierre-Georges Echeverria,  Sébastien Reymond,  Phannarath Phansavath,  Virginie Ratovelomanana-Vidal,  Amandine Guérinot,  Janine Cossy|2016|Org.Lett.|18|4534|doi:10.1021/acs.orglett.6b02162
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.cc1mjgyk
title: CCDC 1505389: Experimental Crystal Structure Determination

description: Related Article: Jing Cao,  Xiaojing Jing,  Juanzhu Yan,  Chengyi Hu,  Ruihao Chen,  Jun Yin,  Jing Li,  and Nanfeng Zheng|2016|J.Am.Chem.Soc.|138|9919|doi:10.1021/jacs.6b04924
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.cc1kg86h
title: CCDC 1443676: Experimental Crystal Structure Determination

description: Related Article: Jing Cao,  Xiaojing Jing,  Juanzhu Yan,  Chengyi Hu,  Ruihao Chen,  Jun Yin,  Jing Li,  and Nanfeng Zheng|2016|J.Am.Chem.Soc.|138|9919|doi:10.1021/jacs.6b04924
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.cc1mjgzl
title: CCDC 1505390: Experimental Crystal Structure Determination

description: Related Article: Jing Cao,  Xiaojing Jing,  Juanzhu Yan,  Chengyi Hu,  Ruihao Chen,  Jun Yin,  Jing Li,  and Nanfeng Zheng|2016|J.Am.Chem.Soc.|138|9919|doi:10.1021/jacs.6b04924
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.cc1kg85g
title: CCDC 1443675: Experimental Crystal Structure Determination

description: Related Article: Jing Cao,  Xiaojing Jing,  Juanzhu Yan,  Chengyi Hu,  Ruihao Chen,  Jun Yin,  Jing Li,  and Nanfeng Zheng|2016|J.Am.Chem.Soc.|138|9919|doi:10.1021/jacs.6b04924
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.cc1mjh0n
title: CCDC 1505391: Experimental Crystal Structure Determination

description: Related Article: Jing Cao,  Xiaojing Jing,  Juanzhu Yan,  Chengyi Hu,  Ruihao Chen,  Jun Yin,  Jing Li,  and Nanfeng Zheng|2016|J.Am.Chem.Soc.|138|9919|doi:10.1021/jacs.6b04924
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.cc1mj61d
title: CCDC 1505113: Experimental Crystal Structure Determination

description: Related Article: Jie Cheng,  Xia Deng,  Guoqiang Wang,  Ying Li,  Xu Cheng,  Guigen Li|2016|Org.Lett.|18|4538|doi:10.1021/acs.orglett.6b02179
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: 10.5281/zenodo.15494712
title: Mars-Bench: mb-crater_multi_seg

description: The mb-crater_multi_seg dataset provides multi-class crater segmentation using THEMIS imagery, where each pixel is assigned to one of four crater types: Other, Layered, Buried, or Secondary. This dataset supports detailed morphological classification and enables analysis of how distinct crater types contribute to understanding Martian surface evolution.

Craters are crucial for understanding the geological history, surface age, and impact processes of planetary bodies. Moreover, classifying craters into distinct morphological types allows researchers to assess which crater categories are most informative for scientific interpretation. Although craters are often described as bowl-shaped, they are not always perfectly circular. To address this, we provide annotations in elliptical form, marking the first known release of crater segmentation using elliptical geometry, rather than the circular annotations common in prior datasets.

As with the binary dataset, the full image-mask pairs were generated from open-source THEMIS data, restricted to approximately ±30° latitude to mitigate missing polar pixels. Geographically disjoint splits ensure no spatial overlap: −180° – 60° for training, 60° – 120° for testing, and 120° – 180° for validation.

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.5281/zenodo.15494713
title: Mars-Bench: mb-crater_multi_seg

description: The mb-crater_multi_seg dataset provides multi-class crater segmentation using THEMIS imagery, where each pixel is assigned to one of four crater types: Other, Layered, Buried, or Secondary. This dataset supports detailed morphological classification and enables analysis of how distinct crater types contribute to understanding Martian surface evolution.

Craters are crucial for understanding the geological history, surface age, and impact processes of planetary bodies. Moreover, classifying craters into distinct morphological types allows researchers to assess which crater categories are most informative for scientific interpretation. Although craters are often described as bowl-shaped, they are not always perfectly circular. To address this, we provide annotations in elliptical form, marking the first known release of crater segmentation using elliptical geometry, rather than the circular annotations common in prior datasets.

As with the binary dataset, the full image-mask pairs were generated from open-source THEMIS data, restricted to approximately ±30° latitude to mitigate missing polar pixels. Geographically disjoint splits ensure no spatial overlap: −180° – 60° for training, 60° – 120° for testing, and 120° – 180° for validation.

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/