cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc3f29w
title: CCDC 101937: Experimental Crystal Structure Determination

description: Related Article: G.Fritzsche, R.Gleiter, H.Irngartinger, T.Oeser|1999|Eur.J.Org.Chem.|1999|73|doi:10.1002/(SICI)1099-0690(199901)1999:1<73::AID-EJOC73>3.0.CO;2-B
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/cc3f2bx
title: CCDC 101938: Experimental Crystal Structure Determination

description: Related Article: G.Fritzsche, R.Gleiter, H.Irngartinger, T.Oeser|1999|Eur.J.Org.Chem.|1999|73|doi:10.1002/(SICI)1099-0690(199901)1999:1<73::AID-EJOC73>3.0.CO;2-B
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: 10.25346/s6eecgix/vovuth
title: msXL_323r_48_25.tif
DOI: 10.5517/cc3g7nf
title: CCDC 103064: Experimental Crystal Structure Determination

description: Related Article: P.Comba, W.Goll, B.Nuber, K.Varnagy|1998|Eur.J.Inorg.Chem.|1998|2041|doi:10.1002/(SICI)1099-0682(199812)1998:12<2041::AID-EJIC2041>3.0.CO;2-S
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/cc40r40
title: CCDC 119881: Experimental Crystal Structure Determination

description: Related Article: A.Bashall, P.E.Collier, L.H.Gade, M.McPartlin, P.Mountford, D.J.M.Trosch|1998|Chem.Commun.||2555|doi:10.1039/a806936k
description: Related Article: D.J.M.Trosch, P.E.Collier, A.Bashall, L.H.Gade, M.McPartlin, P.Mountford, S.Radojevic|2001|Organometallics|20|3308|doi:10.1021/om010253g
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.5f5urp
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ehrharta stipoides",
 "Country is Madagascar",
 "HasCoordinate is true"
 ]
}

 The dataset includes 7 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006766-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc3g7pg
title: CCDC 103065: Experimental Crystal Structure Determination

description: Related Article: P.Comba, W.Goll, B.Nuber, K.Varnagy|1998|Eur.J.Inorg.Chem.|1998|2041|doi:10.1002/(SICI)1099-0682(199812)1998:12<2041::AID-EJIC2041>3.0.CO;2-S
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: 10.25346/s6eecgix/yr1jos
title: msXL_323r_31_24.tif
DOI: 10.5517/cc3g7qh
title: CCDC 103066: Experimental Crystal Structure Determination

description: Related Article: P.Comba, W.Goll, B.Nuber, K.Varnagy|1998|Eur.J.Inorg.Chem.|1998|2041|doi:10.1002/(SICI)1099-0682(199812)1998:12<2041::AID-EJIC2041>3.0.CO;2-S
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.gjjxah
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ehrharta stipoides",
 "Country is South Africa",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006768-251009101135966/datasets/export for details.
DOI: 10.25346/s6eecgix/67iehw
title: msXL_323r_31_23.tif
DOI: 10.5517/cc3gb3z
title: CCDC 103140: Experimental Crystal Structure Determination

description: Related Article: M.Niemeyer, S.-O.Hauber|1999|Z.Anorg.Allg.Chem.|625|137|doi:10.1002/(SICI)1521-3749(199901)625:1<137::AID-ZAAC137>3.3.CO;2-3
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/cc3gb40
title: CCDC 103141: Experimental Crystal Structure Determination

description: Related Article: M.Niemeyer, S.-O.Hauber|1999|Z.Anorg.Allg.Chem.|625|137|doi:10.1002/(SICI)1521-3749(199901)625:1<137::AID-ZAAC137>3.3.CO;2-3
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.cpw2xw
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ehrharta stipoides",
 "Country is Papua New Guinea",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006767-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc3dhsr
title: CCDC 101394: Experimental Crystal Structure Determination

description: Related Article: E.Fanghanel, A.Ullrich, C.Wagner|1998|Eur.J.Org.Chem.|1998|1577|doi:10.1002/(SICI)1099-0690(199808)1998:8<1577::AID-EJOC1577>3.3.CO;2-X
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/cc3ygwc
title: CCDC 117703: Experimental Crystal Structure Determination

description: Related Article: E.Fanghanel, A.Ullrich, C.Wagner|1998|Eur.J.Org.Chem.|1998|1577|doi:10.1002/(SICI)1099-0690(199808)1998:8<1577::AID-EJOC1577>3.3.CO;2-X
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: 10.25346/s6eecgix/qdruko
title: msXL_323r_31_22.tif
DOI: 10.5517/cc3dl79
title: CCDC 101470: Experimental Crystal Structure Determination

description: Related Article: D.Thomas, N.Peulecke, V.V.Burlakov, W.Baumann, A.Spannenberg, R.Kempe, U.Rosenthal|1998|Eur.J.Inorg.Chem.|1998|1495|doi:10.1002/(SICI)1099-0682(199810)1998:10<1495::AID-EJIC1495>3.0.CO;2-D
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/cc3yl0m
title: CCDC 117800: Experimental Crystal Structure Determination

description: Related Article: D.Thomas, N.Peulecke, V.V.Burlakov, W.Baumann, A.Spannenberg, R.Kempe, U.Rosenthal|1998|Eur.J.Inorg.Chem.|1998|1495|doi:10.1002/(SICI)1099-0682(199810)1998:10<1495::AID-EJIC1495>3.0.CO;2-D
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: 10.25346/s6eecgix/bgoqpj
title: msXL_323r_31_21.tif
DOI: 10.5517/cc3dmqt
title: CCDC 101516: Experimental Crystal Structure Determination

description: Related Article: Ling-Yu Huang, U.R.Aulwurm, F.W.Heinemann, H.Kisch|1998|Eur.J.Inorg.Chem.|1998|1951|doi:10.1002/(SICI)1099-0682(199812)1998:12<1951::AID-EJIC1951>3.3.CO;2-2
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/cc3yl1n
title: CCDC 117801: Experimental Crystal Structure Determination

description: Related Article: D.Thomas, N.Peulecke, V.V.Burlakov, W.Baumann, A.Spannenberg, R.Kempe, U.Rosenthal|1998|Eur.J.Inorg.Chem.|1998|1495|doi:10.1002/(SICI)1099-0682(199810)1998:10<1495::AID-EJIC1495>3.0.CO;2-D
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/cc3dzxc
title: CCDC 101863: Experimental Crystal Structure Determination

description: Related Article: K.Krohn, C.Freund, U.Florke|1998|Eur.J.Org.Chem.|1998|2713|doi:10.1002/(SICI)1099-0690(199812)1998:12<2713::AID-EJOC2713>3.0.CO;2-G
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/cc3f4zm
title: CCDC 102020: Experimental Crystal Structure Determination

description: Related Article: H.-F.Klein, A.Dal, T.Jung, U.Florke, H.-J.Haupt|1998|Eur.J.Inorg.Chem.|1998|2027|doi:10.1002/(SICI)1099-0682(199812)1998:12<2027::AID-EJIC2027>3.0.CO;2-X
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: 10.25346/s6eecgix/wc1isw
title: msXL_323r_31_20.tif
DOI: 10.5517/cc3f50p
title: CCDC 102021: Experimental Crystal Structure Determination

description: Related Article: H.-F.Klein, A.Dal, T.Jung, U.Florke, H.-J.Haupt|1998|Eur.J.Inorg.Chem.|1998|2027|doi:10.1002/(SICI)1099-0682(199812)1998:12<2027::AID-EJIC2027>3.0.CO;2-X
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/cc3f7c3
title: CCDC 102094: Experimental Crystal Structure Determination

description: Related Article: H.-F.Klein, A.Dal, T.Jung, U.Florke, H.-J.Haupt|1998|Eur.J.Inorg.Chem.|1998|2027|doi:10.1002/(SICI)1099-0682(199812)1998:12<2027::AID-EJIC2027>3.0.CO;2-X
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.13748907
title: Speculative Automated Refactoring of Imperative Deep Learning Programs to Graph Execution

description: Efficiency is essential to support ever-growing datasets, especially for Deep Learning (DL) systems. DL frameworks have traditionally embraced deferred execution-style DL code---supporting symbolic, graph-based Deep Neural Network (DNN) computation. While scalable, such development is error-prone, non-intuitive, and difficult to debug. Consequently, more natural, imperative DL frameworks encouraging eager execution have emerged but at the expense of run-time performance. Though hybrid approaches aim for the "best of both worlds," using them effectively requires subtle considerations. Our key insight is that, while DL programs typically execute sequentially, hybridizing imperative DL code resembles parallelizing sequential code in traditional systems. Inspired by this, we present an automated refactoring approach that assists developers in determining which otherwise eagerly-executed imperative DL functions could be effectively and efficiently executed as graphs. The approach features novel static imperative tensor and side-effect analyses for Python. Due to its inherent dynamism, analyzing Python may be unsound; however, the conservative approach leverages a speculative (keyword-based) analysis for resolving difficult cases that informs developers of any assumptions made. The approach is: (i) implemented as a plug-in to the PyDev Eclipse IDE that integrates the WALA Ariadne analysis framework and (ii) evaluated on nineteen DL projects consisting of 132 KLOC. The results show that 326 of 766 candidate functions (42.56%) were refactorable, and an average relative speedup of 2.16x on performance tests was observed with negligible differences in model accuracy. The results indicate that the approach is useful in optimizing imperative DL code to its full potential.
DOI: 10.5281/zenodo.17216491
title: Speculative Automated Refactoring of Imperative Deep Learning Programs to Graph Execution

description: Efficiency is essential to support ever-growing datasets, especially for Deep Learning (DL) systems. DL frameworks have traditionally embraced deferred execution-style DL code---supporting symbolic, graph-based Deep Neural Network (DNN) computation. While scalable, such development is error-prone, non-intuitive, and difficult to debug. Consequently, more natural, imperative DL frameworks encouraging eager execution have emerged but at the expense of run-time performance. Though hybrid approaches aim for the "best of both worlds," using them effectively requires subtle considerations. Our key insight is that, while DL programs typically execute sequentially, hybridizing imperative DL code resembles parallelizing sequential code in traditional systems. Inspired by this, we present an automated refactoring approach that assists developers in determining which otherwise eagerly-executed imperative DL functions could be effectively and efficiently executed as graphs. The approach features novel static imperative tensor and side-effect analyses for Python. Due to its inherent dynamism, analyzing Python may be unsound; however, the conservative approach leverages a speculative (keyword-based) analysis for resolving difficult cases that informs developers of any assumptions made. The approach is: (i) implemented as a plug-in to the PyDev Eclipse IDE that integrates the WALA Ariadne analysis framework and (ii) evaluated on nineteen DL projects consisting of 132 KLOC. The results show that 326 of 766 candidate functions (42.56%) were refactorable, and an average relative speedup of 2.16x on performance tests was observed with negligible differences in model accuracy. The results indicate that the approach is useful in optimizing imperative DL code to its full potential.
DOI: 10.5517/cc3f7k9
title: CCDC 102100: Experimental Crystal Structure Determination

description: Related Article: C.Schnitter, A.Klemp, H.W.Roesky, H.-G.Schmidt, C.Ropken, R.Herbst-Irmer, M.Noltemeyer|1998|Eur.J.Inorg.Chem.|1998|2033|doi:10.1002/(SICI)1099-0682(199812)1998:12<2033::AID-EJIC2033>3.0.CO;2-I
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/cc3f7lb
title: CCDC 102101: Experimental Crystal Structure Determination

description: Related Article: C.Schnitter, A.Klemp, H.W.Roesky, H.-G.Schmidt, C.Ropken, R.Herbst-Irmer, M.Noltemeyer|1998|Eur.J.Inorg.Chem.|1998|2033|doi:10.1002/(SICI)1099-0682(199812)1998:12<2033::AID-EJIC2033>3.0.CO;2-I
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: 10.25346/s6eecgix/vtbqmj
title: msXL_323r_31_19.tif
DOI: 10.5517/cc3f7mc
title: CCDC 102102: Experimental Crystal Structure Determination

description: Related Article: C.Schnitter, A.Klemp, H.W.Roesky, H.-G.Schmidt, C.Ropken, R.Herbst-Irmer, M.Noltemeyer|1998|Eur.J.Inorg.Chem.|1998|2033|doi:10.1002/(SICI)1099-0682(199812)1998:12<2033::AID-EJIC2033>3.0.CO;2-I
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/cc3f7nd
title: CCDC 102103: Experimental Crystal Structure Determination

description: Related Article: C.Schnitter, A.Klemp, H.W.Roesky, H.-G.Schmidt, C.Ropken, R.Herbst-Irmer, M.Noltemeyer|1998|Eur.J.Inorg.Chem.|1998|2033|doi:10.1002/(SICI)1099-0682(199812)1998:12<2033::AID-EJIC2033>3.0.CO;2-I
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/cc3f7pf
title: CCDC 102104: Experimental Crystal Structure Determination

description: Related Article: C.Schnitter, A.Klemp, H.W.Roesky, H.-G.Schmidt, C.Ropken, R.Herbst-Irmer, M.Noltemeyer|1998|Eur.J.Inorg.Chem.|1998|2033|doi:10.1002/(SICI)1099-0682(199812)1998:12<2033::AID-EJIC2033>3.0.CO;2-I
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: 10.25346/s6eecgix/uj6qgu
title: msXL_323r_31_18.tif
DOI: 10.5517/cc3fgyx
title: CCDC 102329: Experimental Crystal Structure Determination

description: Related Article: P.Binger, S.Stutzmann, J.Bruckmann, C.Kruger, J.Grobe, D.Le Van, T.Pohlmeyer|1998|Eur.J.Inorg.Chem.|1998|2071|doi:10.1002/(SICI)1099-0682(199812)1998:12<2071::AID-EJIC2071>3.0.CO;2-M
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/cc3gfhg
title: CCDC 103245: Experimental Crystal Structure Determination

description: Related Article: H.Bock, N.Nagel, C.Nather|1998|Z.Naturforsch.,B:Chem.Sci.|53|1413|
description: Related Article: H.Bock, N.Nagel, C.Nather|1999|Chem.-Eur.J.|5|2233|doi:10.1002/(SICI)1521-3765(19990802)5:8<2233::AID-CHEM2233>3.0.CO;2-B
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: 10.25346/s6eecgix/awoayu
title: msXL_323r_31_17.tif
DOI: 10.5517/cc3srg2
title: CCDC 113164: Experimental Crystal Structure Determination

description: Related Article: F.A.Cotton, L.M.Daniels, I.Guimet, R.W.Henning, G.T.Jordan IV, Chun Lin, C.A.Murillo, A.J.Schultz|1998|J.Am.Chem.Soc.|120|12531|doi:10.1021/ja982425f
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/cc3srh3
title: CCDC 113165: Experimental Crystal Structure Determination

description: Related Article: F.A.Cotton, L.M.Daniels, I.Guimet, R.W.Henning, G.T.Jordan IV, Chun Lin, C.A.Murillo, A.J.Schultz|1998|J.Am.Chem.Soc.|120|12531|doi:10.1021/ja982425f
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/cc3fhdd
title: CCDC 102343: Experimental Crystal Structure Determination

description: Related Article: F.A.Cotton, L.M.Daniels, G.T.Jordan IV, Chun Lin, C.A.Murillo|1998|Inorg.Chem.Commun.|1|109|doi:10.1016/S1387-7003(98)00028-8
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.