cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc7wswr
title: CCDC 235255: Experimental Crystal Structure Determination

description: Related Article: Cheng-Yong Su, A.M.Goforth, M.D.Smith, P.J.Pellechia, H.-C.zur Loye|2004|J.Am.Chem.Soc.|126|3576|doi:10.1021/ja039022m
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/cc7wsxs
title: CCDC 235256: Experimental Crystal Structure Determination

description: Related Article: Cheng-Yong Su, A.M.Goforth, M.D.Smith, P.J.Pellechia, H.-C.zur Loye|2004|J.Am.Chem.Soc.|126|3576|doi:10.1021/ja039022m
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/cc7wsyt
title: CCDC 235257: Experimental Crystal Structure Determination

description: Related Article: Cheng-Yong Su, A.M.Goforth, M.D.Smith, P.J.Pellechia, H.-C.zur Loye|2004|J.Am.Chem.Soc.|126|3576|doi:10.1021/ja039022m
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/cc7dkqw
title: CCDC 220618: Experimental Crystal Structure Determination

description: Related Article: Zhen Ma, Shi-Xiong Liu|2004|Synlett|2004|517|doi:10.1055/s-2004-815423
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/cc6lm8n
title: CCDC 196641: Experimental Crystal Structure Determination

description: Related Article: Yulin Yang, Yunling Liu, Zhongcheng Mu, Ling Ye, Tao Hu, Chao Chen, Wenqin Pang|2004|J.Solid State Chem.|177|696|doi:10.1016/j.jssc.2003.08.034
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/cc7dkrx
title: CCDC 220619: Experimental Crystal Structure Determination

description: Related Article: Zhen Ma, Shi-Xiong Liu|2004|Synlett|2004|517|doi:10.1055/s-2004-815423
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/cc782m5
title: CCDC 216306: Experimental Crystal Structure Determination

description: Related Article: Qi Li, Chunhua Hu, R.Haerter, U.Englert|2004|CrystEngComm|6|83|doi:10.1039/b401615g
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/cc782n6
title: CCDC 216307: Experimental Crystal Structure Determination

description: Related Article: Qi Li, Chunhua Hu, R.Haerter, U.Englert|2004|CrystEngComm|6|83|doi:10.1039/b401615g
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/cc72dj6
title: CCDC 210847: Experimental Crystal Structure Determination

description: Related Article: Fuchen Liu, Liying Duan, Yangguang Li, Enbo Wang, Xinlong Wang, Changwen Hu, Lin Xu|2004|Inorg.Chim.Acta|357|1355|doi:10.1016/j.ica.2003.11.007
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/cc76rkq
title: CCDC 215033: Experimental Crystal Structure Determination

description: Related Article: Fuchen Liu, Liying Duan, Yangguang Li, Enbo Wang, Xinlong Wang, Changwen Hu, Lin Xu|2004|Inorg.Chim.Acta|357|1355|doi:10.1016/j.ica.2003.11.007
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/cc7jnft
title: CCDC 224546: Experimental Crystal Structure Determination

description: Related Article: T.Funaki, S.Inokuma, H.Ide, T.Yonekura, Y.Nakamura, J.Nishimura|2004|Tetrahedron Lett.|45|2393|doi:10.1016/j.tetlet.2004.01.100
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/cc7jsp6
title: CCDC 224678: Experimental Crystal Structure Determination

description: Related Article: T.Funaki, S.Inokuma, H.Ide, T.Yonekura, Y.Nakamura, J.Nishimura|2004|Tetrahedron Lett.|45|2393|doi:10.1016/j.tetlet.2004.01.100
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.16941776
title: Physically Consistent Sampling For Ocean Model Initialization - Dataset

description: This dataset gathers all data and codes needed to reproduce the figures in Physically Consistent Sampling For Ocean Model Initialization, submitted to Tackling Climate Change with Machine Leurning NeurIPS Workshop 2025. (Paper link will be added upon acceptation). 

 

Description of the files: 



generated_npy_files.zip gathers the npy temperature and salinity fields generated by the diffusion model for the 4 different cases used in the paper: no conditioning, temperature and salinity conditioning, C1 conditioning and C2 conditioning.

model_weights.zip gathers the weights of the trained diffusion model used to generate the npy files. 

emp_climatology_1_4deg.nc is need to run a NEMO simulation with our parameters.

restart_files_1_4deg.zip contains all the restart files generated from the npy files and the following codes, and some reference restart files. 


 

Additionnally, the codes to produce the Figures can be found in the following repositories: 



https://github.com/Etienne-Meunier/DINO-Fusion/tree/dev-diffusion

https://github.com/Etienne-Meunier/Dinonline/tree/diffusion


The first link contains the code of the constraint diffusion model, the tutorial to create the restart files needed to run the NEMO simulation from the npy files and the code to plot the zonally averaged density figures both before and after NEMO simulation.

The second link contains the files and scripts that are needed to run nemo simulations with our parameters.
DOI: 10.5281/zenodo.16941775
title: Physically Consistent Sampling For Ocean Model Initialization - Dataset

description: This dataset gathers all data and codes needed to reproduce the figures in Physically Consistent Sampling For Ocean Model Initialization, submitted to Tackling Climate Change with Machine Leurning NeurIPS Workshop 2025. (Paper link will be added upon acceptation). 

 

Description of the files: 



generated_npy_files.zip gathers the npy temperature and salinity fields generated by the diffusion model for the 4 different cases used in the paper: no conditioning, temperature and salinity conditioning, C1 conditioning and C2 conditioning.

model_weights.zip gathers the weights of the trained diffusion model used to generate the npy files. 

emp_climatology_1_4deg.nc is need to run a NEMO simulation with our parameters.

restart_files_1_4deg.zip contains all the restart files generated from the npy files and the following codes, and some reference restart files. 


 

Additionnally, the codes to produce the Figures can be found in the following repositories: 



https://github.com/Etienne-Meunier/DINO-Fusion/tree/dev-diffusion

https://github.com/Etienne-Meunier/Dinonline/tree/diffusion


The first link contains the code of the constraint diffusion model, the tutorial to create the restart files needed to run the NEMO simulation from the npy files and the code to plot the zonally averaged density figures both before and after NEMO simulation.

The second link contains the files and scripts that are needed to run nemo simulations with our parameters.
DOI: 10.5517/cc7l093
title: CCDC 225844: Experimental Crystal Structure Determination

description: Related Article: A.Dondoni, A.Massi, S.Sabbatini, V.Bertolasi|2004|Tetrahedron Lett.|45|2381|doi:10.1016/j.tetlet.2004.01.070
description: Related Article: A.Dondoni, A.Massi, S.Sabbatini|2005|Chem.-Eur.J.|11|7110|doi:10.1002/chem.200500823
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/cc7gswb
title: CCDC 222762: Experimental Crystal Structure Determination

description: Related Article: K.Matsumoto, A.Watanabe, T.Uchida, K.Ogi, T.Katsuki|2004|Tetrahedron Lett.|45|2385|doi:10.1016/j.tetlet.2004.01.095
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/cc7mph0
title: CCDC 227462: Experimental Crystal Structure Determination

description: Related Article: Y.Nakahima, T.Shimizu, K.Hirabayashi, N.Kamigata, M.Yasui, M.Nakazato, F.Iwasaki|2004|Tetrahedron Lett.|45|2301|doi:10.1016/j.tetlet.2004.01.107
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/cc7159q
title: CCDC 209662: Experimental Crystal Structure Determination

description: Related Article: Shu-Fei Huang, Yi-Chian Chou, P.Misra, Chin-Jhan Lee, S.Mohanta, Ho-Hsiang Wei|2004|Inorg.Chim.Acta|357|1627|doi:10.1016/j.ica.2003.11.021
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/cc715br
title: CCDC 209663: Experimental Crystal Structure Determination

description: Related Article: Shu-Fei Huang, Yi-Chian Chou, P.Misra, Chin-Jhan Lee, S.Mohanta, Ho-Hsiang Wei|2004|Inorg.Chim.Acta|357|1627|doi:10.1016/j.ica.2003.11.021
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/cc78zct
title: CCDC 217166: Experimental Crystal Structure Determination

description: Related Article: D.W.Allen, S.J.Coles, M.E.Light, M.B.Hursthouse|2004|Inorg.Chim.Acta|357|1558|doi:10.1016/j.ica.2003.12.001
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/cc78zdv
title: CCDC 217167: Experimental Crystal Structure Determination

description: Related Article: D.W.Allen, S.J.Coles, M.E.Light, M.B.Hursthouse|2004|Inorg.Chim.Acta|357|1558|doi:10.1016/j.ica.2003.12.001
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/cc71n30
title: CCDC 210121: Experimental Crystal Structure Determination

description: Related Article: Wenjun Zheng, Xi Liu, Junhuai Guo, Liyan Wu, Daizheng Liao|2004|Inorg.Chim.Acta|357|1571|doi:10.1016/j.ica.2003.11.039
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/cc7dy6r
title: CCDC 220974: Experimental Crystal Structure Determination

description: Related Article: M.H.Klingele, S.Brooker|2004|Inorg.Chim.Acta|357|1598|doi:10.1016/j.ica.2003.11.018
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/cc7773s
title: CCDC 215484: Experimental Crystal Structure Determination

description: Related Article: Bing-Ping Yang, Zhong-Ming Sun, Jiang-Gao Mao|2004|Inorg.Chim.Acta|357|1583|doi:10.1016/j.ica.2003.11.017
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.kbqajc
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 32 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005678-180730143533302/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pprehl
title: Occurrence Download

description: A dataset containing 361385486 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is EOD – eBird Observation Dataset",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 361385486 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023825-181108115102211/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ytnt7d
title: Occurrence Download

description: A dataset containing 35561 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Linum acuticarpum C.M.Rogers, Linum adustum E.Mey. ex Planch., Linum aethiopicum Thunb., Linum africanum L., Linum album Kotschy ex Boiss., Linum arboreum L., Linum doerfleri Rech.fil., Linum aretioides Boiss., Linum ayliniae Yilmaz, Linum betsiliense Baker, Linum boissieri Asch. & Sint. ex Boiss., Linum brevistylum C.M.Rogers, Linum caespitosum Sibth. & Sm., Linum campanulatum L., Linum capitatum Schult., Linum cariense Boiss., Linum catharticum L., Linum ciliatum Hayek, Linum comptonii C.M.Rogers, Linum corymbiferum Desf., Linum corymbulosum Rchb., Linum dolomiticum Borbás, Linum elegans Boiss., Linum emirnense Bojer, Linum ertugrulii Tugay, Bagci & Uysal, Linum esterhuysenae C.M.Rogers, Linum euboeum Bornm., Linum flavum L., Linum flos-carmini Ruiz-Martin, Mart.Labarga, Jim.Mejías & Pérez-Barr., Linum goulimyi Rech.fil., Linum gracile Sm. ex Planch., Linum gyaricum Vierh., Linum hellenicum Iatrou, Linum heterostylum C.M.Rogers, Linum jimenezii Pau, Linum kaynakiae Yilmaz, Linum keniense T.C.E.Fr., Linum leucanthum Boiss. & Spruner, Linum maritimum L., Linum marojejyense (Humbert) C.M.Rogers, Linum mucronatum Bertol., Linum mysorense B.Heyne ex Wall., Linum nodiflorum L., Linum numidicum Murb., Linum pallasianum Schult., Linum pamphylicum (Boiss.) Podp., Linum olympicum Boiss., Linum persicum Boiss., Linum phitosianum Christod. & Iatroú, Linum pungens Planch., Linum quadrifolium L., Linum setaceum Brot., Linum strictum L., Linum appressum Caball., Linum carratracense (Rivas Goday & Rivas Mart.) Mart.Labarga & Muñoz Garm., Linum gaditanum Mart.Labarga & Muñoz Garm., Linum marianorum (Rivas Goday & Bellot) Mart.Labarga & Muñoz Garm., Linum milletii Sennen & Gonzalo, Linum salsoloides Lam., Linum tejedense (C.Vicioso ex Pau) Mart.Labarga & Muñoz Garm., Linum suffruticosum L., Linum tauricum Willd., Linum tenue Desf., Linum tenuifolium L., Linum thesioides Bartl., Linum thracicum (Griseb.) Degen, Linum thunbergii Eckl. & Zeyh., Linum toxicum Boiss., Linum triflorum Davis, Linum trigynum L., Linum ucranicum Czern. ex Gruner, Linum uninerve (Rchb.) Jáv., Linum velutinum Steud. ex Planch., Linum villosum C.M.Rogers, Linum volkensii Engl., Linum vuralianum Yilmaz & Kaynak)",
 "Country is Spain"
 ]
}

 The dataset includes 35561 records from 111 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0243479-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2owyhk
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 32 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005712-180730143533302/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fp8vss
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0053702-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cuygrc
title: Occurrence Download

description: A dataset containing 19857220 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "Country is one of (Canada, Finland, Greenland, Iceland, Norway, Russian Federation, Sweden, United States of America)",
 "Year is greater than or equal to 2020"
 ]
}

 The dataset includes 19857220 records from 347 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0285636-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wm7jgs
title: Occurrence Download

description: A dataset containing 244071483 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Observation",
 "BasisOfRecord is Machine Observation",
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Material sample",
 "BasisOfRecord is Literature Occurrence",
 "BasisOfRecord is Specimen",
 "BasisOfRecord is Living Specimen",
 "BasisOfRecord is Unknown evidence"
 ]
 },
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 244071483 records from 4648 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016331-181108115102211/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.894gvm
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Donacobius atricapilla)",
 "Country is one of (Afghanistan, Armenia, Azerbaijan, Bahrain, Bangladesh, Bhutan, Brunei Darussalam, Cambodia, China, Cyprus, Georgia, Hong Kong, India, Indonesia, Iran (Islamic Republic of), Iraq, Israel, Japan, Jordan, Kazakhstan, Korea (Democratic People’s Republic of), Korea, Republic of, Kuwait, Kyrgyzstan, Lao People’s Democratic Republic, Lebanon, Macao, Malaysia, Maldives, Mongolia, Myanmar, Nepal, Oman, Pakistan, Palestine, State of, Philippines, Qatar, Saudi Arabia, Singapore, Sri Lanka, Syrian Arab Republic, Tajikistan, Thailand, Timor-Leste, Türkiye, Turkmenistan, United Arab Emirates, Uzbekistan, Viet Nam, Yemen)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0078309-250717081556266/datasets/export for details.