cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.13913848
title: PanDDA analysis of fragment screen against the computationally designed ABLE protein

description: This deposition contains the X-ray diffraction data used to run PanDDA in the screen of fragments from the Enamine Essential fragment library against the computationally designed ABLE protein in Yuda et al. 2025 (https://doi.org/10.1101/2025.01.30.635804).

able_xray.tar.gz contains structure factor intensities, PanDDA input/output and refined models/maps.

able_ligand-bound-states.tar.gz contains the ligand-bound states extracted from the multi-state PDB files.
DOI: 10.15468/dl.c59ctx
title: Occurrence Download

description: A dataset containing 87271 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Canis latrans Say, 1823"
 ]
}

 The dataset includes 87271 records from 224 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007049-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17909/6exv-q395
title: Data from Paper THE STRUCTURE OF THE LOCAL INTERSTELLAR MEDIUM VII. ADDITIONAL NEW Mg II, Fe II, AND Mn II OBSERVATIONS TOWARD STARS WITHIN 100 pc
DOI: 10.15468/dl.gu5hsq
title: Occurrence Download

description: A dataset containing 87271 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Canis latrans Say, 1823"
 ]
}

 The dataset includes 87271 records from 224 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007050-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.x9h8bt
title: Occurrence Download

description: A dataset containing 5494 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Geometry POLYGON((-63.61918 51.31381,-80.43564 50.10599,-83.50162 42.48749,-88.7045 32.825,-79.59946 33.10372,-53.58506 44.99602,-63.61918 51.31381))",
 "OccurrenceStatus is Present",
 "TaxonKey is Picea rubens Sarg.",
 "Year 1950-2025"
 ]
}

 The dataset includes 5494 records from 56 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007051-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n9dcya
title: Occurrence Download

description: A dataset containing 967 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Geometry POLYGON((-65.45829 45.56101,-69.39567 47.21885,-88.66811 36.0284,-79.54997 30.91672,-65.45829 45.56101))",
 "TaxonKey is Abies fraseri (Pursh) Poir.",
 "Year 1950-2025"
 ]
}

 The dataset includes 967 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007053-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2kyx8q
title: CCDC 2382234: Experimental Crystal Structure Determination

description: Related Article: Weiming Sheng, Thayalan Rajeshkumar, Laurent Maron, Congqing Zhu|2025|Organometallics|44|354|doi:10.1021/acs.organomet.4c00488
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.cc2kyx9r
title: CCDC 2382235: Experimental Crystal Structure Determination

description: Related Article: Weiming Sheng, Thayalan Rajeshkumar, Laurent Maron, Congqing Zhu|2025|Organometallics|44|354|doi:10.1021/acs.organomet.4c00488
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.cc2kyxbs
title: CCDC 2382236: Experimental Crystal Structure Determination

description: Related Article: Weiming Sheng, Thayalan Rajeshkumar, Laurent Maron, Congqing Zhu|2025|Organometallics|44|354|doi:10.1021/acs.organomet.4c00488
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.cc2l3bxz
title: CCDC 2386501: Experimental Crystal Structure Determination

description: Related Article: Wenhua Li, Sen Yin, Ziye Song, Pengfei Yan, Yanyan Zhou, Ting Gao, Hongfeng Li|2025|Inorg.Chem.Front.|12|1176|doi:10.1039/D4QI02730B
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.cc2l3cgk
title: CCDC 2386518: Experimental Crystal Structure Determination

description: Related Article: Wenhua Li, Sen Yin, Ziye Song, Pengfei Yan, Yanyan Zhou, Ting Gao, Hongfeng Li|2025|Inorg.Chem.Front.|12|1176|doi:10.1039/D4QI02730B
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.cc2l3qp4
title: CCDC 2386866: Experimental Crystal Structure Determination

description: Related Article: D.R. Adarsh, T. Ravi Teja, B. Sridhar, B.V. Subba Reddy|2025|Tetrahedron Lett.|155|155429|doi:10.1016/j.tetlet.2024.155429
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.cc2l3qq5
title: CCDC 2386867: Experimental Crystal Structure Determination

description: Related Article: D.R. Adarsh, T. Ravi Teja, B. Sridhar, B.V. Subba Reddy|2025|Tetrahedron Lett.|155|155429|doi:10.1016/j.tetlet.2024.155429
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.cc2l3qr6
title: CCDC 2386868: Experimental Crystal Structure Determination

description: Related Article: D.R. Adarsh, T. Ravi Teja, B. Sridhar, B.V. Subba Reddy|2025|Tetrahedron Lett.|155|155429|doi:10.1016/j.tetlet.2024.155429
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.cc2l5v7w
title: CCDC 2388898: Experimental Crystal Structure Determination

description: Related Article: Xin Yan, Lin Zhou, Wen-Li Yang, Yan-Juan Wang, Xin Deng, Yan Qin, Yuan-Yuan Tang|2024|Inorg.Chem.|63|23431|doi:10.1021/acs.inorgchem.4c04355
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.cc2lbznl
title: CCDC 2393840: Experimental Crystal Structure Determination

description: Related Article: Nicolas Mast, Ludmilla Verrieux, William Erb, Nicolas Richy, Olivier Mongin, Jean Pierre Hurvois, Thierry Roisnel, Arnaud Fihey, Boris Le Guennic, Florence Mongin|2025|Dyes Pigm.|235|112612|doi:10.1016/j.dyepig.2024.112612
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.cc2lmbzk
title: CCDC 2401879: Experimental Crystal Structure Determination

description: Related Article: Heng Luo, Ming Zhang, Ze-Qun Xing, Xiao-Chen Wang|2024|J.Am.Chem.Soc.|147|104|doi:10.1021/jacs.4c16214
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.cc2kynqx
title: CCDC 2382000: Experimental Crystal Structure Determination

description: Related Article: Linfeng Liang, Yin-Kang Ding, Yang Yin, Feng-Fan Yang, Jing Yang|2025|Chem.Commun.|61|1834|doi:10.1039/D4CC05516K
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.cc2l1kmv
title: CCDC 2384787: Experimental Crystal Structure Determination

description: Related Article: Haoyun Li, Yuqing Wang, Qin Hu, Li Tian|2024|Cryst.Growth Des.|25|410|doi:10.1021/acs.cgd.4c01476
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.cc2l1kqy
title: CCDC 2384790: Experimental Crystal Structure Determination

description: Related Article: Haoyun Li, Yuqing Wang, Qin Hu, Li Tian|2024|Cryst.Growth Des.|25|410|doi:10.1021/acs.cgd.4c01476
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.cc2j04qf
title: CCDC 2323844: Experimental Crystal Structure Determination

description: Related Article: Dan Xue, Mingming Xu, Michael D. Madden, Xiaoying Lian, Ethan A. Older, Conor Pulliam, Yvonne Hui, Zhuo Shang, Gourab Gupta, Manikanda K. Raja, Yuzhen Wang, Armando Sardi, Yaoling Long, Hexin Chen, Daping Fan, Tim S. Bugni, Traci L. Testerman, Qihao Wu, Jie Li|2024|J.Am.Chem.Soc.|147|265|doi:10.1021/jacs.4c09582
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.cc2kj1rx
title: CCDC 2368919: Experimental Crystal Structure Determination

description: Related Article: Dan Xue, Mingming Xu, Michael D. Madden, Xiaoying Lian, Ethan A. Older, Conor Pulliam, Yvonne Hui, Zhuo Shang, Gourab Gupta, Manikanda K. Raja, Yuzhen Wang, Armando Sardi, Yaoling Long, Hexin Chen, Daping Fan, Tim S. Bugni, Traci L. Testerman, Qihao Wu, Jie Li|2024|J.Am.Chem.Soc.|147|265|doi:10.1021/jacs.4c09582
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.cc2kj1sy
title: CCDC 2368920: Experimental Crystal Structure Determination

description: Related Article: Dan Xue, Mingming Xu, Michael D. Madden, Xiaoying Lian, Ethan A. Older, Conor Pulliam, Yvonne Hui, Zhuo Shang, Gourab Gupta, Manikanda K. Raja, Yuzhen Wang, Armando Sardi, Yaoling Long, Hexin Chen, Daping Fan, Tim S. Bugni, Traci L. Testerman, Qihao Wu, Jie Li|2024|J.Am.Chem.Soc.|147|265|doi:10.1021/jacs.4c09582
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.14783131
title: supplementary material Hydrothermal Carbonisation Products Energy Properties: The Role of Digested Sludge Type and Operating Conditions
DOI: 10.5281/zenodo.14783132
title: supplementary material Hydrothermal Carbonisation Products Energy Properties: The Role of Digested Sludge Type and Operating Conditions
DOI: 10.60707/3kth-8s06
title: Official SAMIS basemap for sample OREX-800088-1
DOI: 10.15468/dl.cbgru4
title: Occurrence Download

description: A dataset listing the 628 species recorded in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "DatasetKey is Illinois Natural History Survey Insect Collection",
 "GadmGid is USA.14_1",
 "TaxonKey is one of (Colletidae, Stenotritidae, Andrenidae, Halictidae, Melittidae, Megachilidae, Apidae)"
 ]
}

 The dataset's 628 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007052-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fm74kx
title: Occurrence Download

description: A dataset containing 105 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-91.08518 19.07235,-91.05274 19.0515,-90.81872 19.22817,-90.84362 19.24845,-91.08518 19.07235))",
 "TaxonKey is Insecta"
 ]
}

 The dataset includes 105 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007055-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7910/dvn/kkijxn
title: Ultra-fast single-crystal CVD diamonds in the particle time-of-flight (PTOF) detector for low yield burn-history measurements on the NIF

description: The Particle Time of Flight (PTOF) diagnostic is a Chemical Vapor Deposition (CVD) diamond-based detector and is the only diagnostic for measuring nuclear bang times of low yield (&lt; 1013) shots on the National Ignition Facility (NIF). Recently, a comprehensive study of detector impulse responses revealed certain detectors with very fast and consistent impulse response with a rise time of &lt; 50 ps, enabling low yield burn history measurements. At the current standoff of 50 cm, this measurement is possible with fast 14 MeV neutrons from deuterium-tritium (DT) fusion plasmas. PTOF-inferred DT burn width numbers compare well with widths inferred from the Gamma Reaction History (GRH) diagnostic on mid-yield (1013 − 1015) shots, where both systems are capable of making this measurement. These new capabilities could be extended to 2.5 MeV DD neutrons from D plasmas and to even lower yield by reducing the detector standoff distance to 10cm; a design for this is also presented.
description: PSFC REPORT PSFC/JA-24-88<br><br>This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and supported by LLNL contract B656484. B. Reichelt is supported by the DOE SSGF fellowship under contract DE-NA0003960.<br><br>If this record does not contain the full text, then the manuscript has been embargoed by the publisher thus restricting open access for 12 to 24 months after publication.
DOI: 10.15468/dl.t3eyq5
title: Occurrence Download

description: A dataset containing 6375 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Calocedrus decurrens (Torr.) Florin",
 "HasCoordinate is true",
 "BasisOfRecord is Human Observation",
 "Continent is North America"
 ]
}

 The dataset includes 6375 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007057-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gmkf28
title: Occurrence Download

description: A dataset containing 638 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is USA.20_1",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is one of (Oreojuncus trifidus (L.) Záv.Drábk. & Kirschner, Arctous alpina (L.) Nied., Harrimanella hypnoides (L.) Coville, Betula glandulosa Michx., Rhododendron lapponicum (L.) Wahlenb., Salix arctophila Cockerell, Empetrum atropurpureum Fernald & Wiegand, Diapensia lapponica L., Carex bigelowii Torr. & Schwein. ex Boott, 1867, Minuartia groenlandica (Retz.) Ostenf., Vaccinium boreale I.V.Hall & Aalders, Potentilla robbinsiana Oakes ex Torr. & A.Gray, Agrostis mertensii Trin., Anthoxanthum monticola (Bigelow) Veldkamp, Astragalus alpinus var. brunetianus Fernald, Bistorta vivipara (L.) Delarbre, Hedysarum alpinum subsp. americanum (Michx. ex Pursh) B.Fedtsch., Juncus alpinoarticulatus Chaix, Kalmia procumbens (L.) Gift, Kron & P.F.Stevens, Veronica wormskjoldii Roem. & Schult., Nabalus boottii DC., Solidago leiocarpa DC., Salix uva-ursi Pursh, Huperzia selago (L.) Bernh., Paronychia argyrocoma (Michx.) Nutt., Geocaulon lividum (Richardson) Fernald)"
 ]
}

 The dataset includes 638 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007058-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14782882
title: Appendix for paper "Improving Code Quality with GPT Models: Automatic Application of Clean Code Principles to Python Projects"

description: Downloadable and clickable appendix. This include several examples, tables. prompts.
DOI: 10.5281/zenodo.14783222
title: Appendix for paper "Improving Code Quality with GPT Models: Automatic Application of Clean Code Principles to Python Projects"

description: Downloadable and clickable appendix. This include several examples, tables. prompts.
DOI: 10.5281/zenodo.14779889
title: Assessing Software Evolution with the Stickiness Score: Evaluating Code Persistence Across Files, Folders, and Developers- Replication Package

description: This package contains data and source code for the Devotion backend, frontend, and hypothesis testing. It is organized into two main folders:



Devotion: Contains the source code for both the frontend and backend of Devotion.

Hypothesis_Testing: Includes the preprocess-input folder, where Devotion’s output files are processed for hypothesis testing. The tokens folder requires a Git token. Other subfolders contain data, source code for hypothesis testing, test results, and plots corresponding to research questions.


Below are the instructions for running the Python scripts.



Instructions




Prerequisites


Before running the backend, install these dependencies using the following command:



pip install -r requirements.txt

 




Running the Backend


To run the backend of Devotion, navigate to the Devotion folder and use the following command:



python ./Devotion/runner.py <GitHub_Repo_URL> <Log_File_Name>

 




Running the Web Application


Before starting the web application, ensure all dependencies are installed by running:



npm install

 


To start the web application of Devotion, navigate to the client folder and run:



cd ./Devotion/frontend/client
npm run start

 




Running the Hypothesis Testing Code






Write your GitHub token:



Save your GitHub token in the Hypothesis_Testing/tokens/github-token.txt file to allow the scripts to access the GitHub API.





Place the required files:



Copy authors.json and folder_structure.json from the Devotion/frontend/client/src folder into the Hypothesis_Testing/preprocess-input folder, inside a new folder named after your project.





Execute the hypothesis testing for each research question:



First, run the Python script located in the preprocess folder.

Then, run the Python script in the hypothesis folder.





Output:



Results, including data points, plots, and the outcomes of normality and correlation tests, will be saved in the hypothesis-output folder.
DOI: 10.5281/zenodo.14779890
title: Assessing Software Evolution with the Stickiness Score: Evaluating Code Persistence Across Files, Folders, and Developers- Replication Package