cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17239073
title: MFGAT

description: A Knowledge-Guided Graph Reasoning Framework for Physics-Consistent Multi-physics Field Prediction in Converter Transformers

Table of Contents





File Structure




Data Preprocessing Flow




Dataset Splitting




Model Architecture




Core Script Description




Usage




Installation Environment




Note on Dataset Size and Availability



 

This research presents a novel framework named the Multi-Feature Graph Attention Network (MFGAT), designed for the efficient and accurate prediction of the thermo-fluid field within converter transformers. The framework integrates physical knowledge from traditional Computational Fluid Dynamics (CFD) methods with Graph Neural Networks (GNN) , significantly enhancing both computational efficiency and prediction accuracy.

This repository contains the code implementation of the MFGAT model proposed in the paper, which handles ultra-large-scale heterogeneous graph data and provides two schemes for evaluating generalization capabilities: Multi-Condition Generalization and Regional Generalization.。

 

1. File Structure

The core directory structure of this project is as follows:





main.py #Training script




predict.py #Prediction and evaluation script




checkpoints #Trained model checkpoints




dataset(operating conditions split) #Dataset Directory (Multi-Condition Split)





raw #Original physical field data files (processed by data_handle)




labels #Label files




subgraphs #Physical subgraph files




test #Test set symbolic links




train #Training set symbolic links




val #Validation set symbolic links






dataset(regional split) #Dataset Directory (Regional Split)





test #Test set subgraph files and Labels




train #Train set subgraph files and Labels




val #Validate set subgraph files and Labels






data_handle #MATLAB scripts for data preprocessing




logs #Log files




models #Python scripts related to the model





data.py #Data loading and normalization




model.py #MFGAT model definition
DOI: 10.15468/dl.wchbub
title: Occurrence Download

description: A dataset containing 220 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Fossil)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Cryptotis mayensis"
 ]
}

 The dataset includes 220 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035152-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5065/d6mc8x7n
title: HS3 2011 Global Hawk Dropsonde Data. Version 3.0

description: NOAA/NASA Global Hawk Dropsonde data from two research flights conducted on September 9 and 14, 2011 for the Hurricane and Severe Storm Sentinel (HS3) project. The GH is equipped with an NCAR/NOAA dropsonde system specially designed for remote operation. 79 quality controlled soundings are available.
DOI: 10.15468/dl.2t6cvm
title: Occurrence Download

description: A dataset containing 92 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Waltheria indica",
 "Country is Madagascar",
 "HasCoordinate is true"
 ]
}

 The dataset includes 92 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035153-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p9as82
title: Occurrence Download

description: A dataset containing 863 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Ficus palmata Forssk."
 ]
}

 The dataset includes 863 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021328-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.25dgwj
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "TaxonKey is Lipocarpha tenera Boeckeler"
 ]
}

 The dataset includes 4 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021329-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.21227/8d6y-cx54
title: Supplementary Materials of Scintillation Properties and Pulse Shape Discrimination Capability of CLLBC at Ce Concentration

description: This supplementary document provides a comprehensive explanation of the coupled rate and transport model used to calculate the scintillation dynamics in Ce-doped CLLBC crystals. The model includes a set of partial differential equations that describe the behavior of charge carriers, excitons, and their interactions within the crystal lattice. These equations account for key processes such as diffusion, trapping, recombination, and nonlinear quenching. Details on parameter selection, including energy loss rates for neutron and gamma excitation, are presented. The calculations reveal how variations in Ce concentration impact neutron-gamma discrimination by altering excited-state dynamics, providing theoretical support for optimizing scintillator performance in dual-mode detection.
DOI: 10.15468/dl.zdvvzx
title: Occurrence Download

description: A dataset containing 76 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoraphis minuta (Mez) Pilg."
 ]
}

 The dataset includes 76 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021332-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.27851130
title: Hydrolysis Datasets from HEPOM paper.

description: Datasets from HEPOM Paper. Includes train/test sets from combined, neutral(qm9+alchemy), protonated, and hydroxylated datasets.
DOI: 10.15468/dl.hmj2d4
title: Occurrence Download

description: A dataset containing 1927 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Latrodectus variolus Walckenaer, 1837"
 ]
}

 The dataset includes 1927 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021334-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cjzhqq
title: Occurrence Download

description: A dataset containing 9298462 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 9298462 records from 2414 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021305-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccrqd50
title: CCDC 706712: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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: 10.13140/rg.2.2.10103.75685
title: CERTIFICATE Coalesce Research Group in Webinar on "Traditional & Alternative Medicine" held during May 24-25, 2021
DOI: 10.5517/ccrqd61
title: CCDC 706713: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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/ccrqd72
title: CCDC 706714: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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/ccrqd83
title: CCDC 706715: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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: 10.23673/re-539
title: Dataset of Estonian Nurses’ and Health Sciences Master’s Students’ Self-Perceived Patient Safety Competencies: H-PEPSS Questionnaire

description: The dataset contains self-perceived patient safety competencies of Estonian nurses and health sciences Master’s students, measured with the H‑PEPSS (Health Professional Education in Patient Safety Survey) questionnaire. The sample included all nurses and midwives working in Estonia, as well as Master’s students in health sciences (nursing science) from the University of Tartu and Master’s students in health sciences (nursing and midwifery) from Tallinn and Tartu Health Care Colleges. Responses w...  Show more
 
Andmekogu sisaldab Eesti õdede ja terviseteaduste magistrantide enesehinnanguid patsiendiohutuse pädevustele, mõõdetuna H‑PEPSS (Health Professional Education in Patient Safety Survey) küsimustikuga. Valim hõlmas kõiki Eestis töötavaid õdesid ja ämmaemandaid ning Tartu Ülikooli terviseteaduste (õendusteadus) ning Tartu ja Tallinna Tervishoiu Kõrgkoolide terviseteaduste (õendus ja ämmaemandus) magistrante. Vastused on antud 5‑punktilisel Likerti skaalal; lisatud on taustaandmed. Andmed koguti veeebiküsitlusega, ajavahemikus mai-september 2023.
DOI: 10.5517/ccrqd94
title: CCDC 706716: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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/ccrqdb5
title: CCDC 706717: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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/ccrqdc6
title: CCDC 706718: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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/ccrqdd7
title: CCDC 706719: Experimental Crystal Structure Determination

description: Related Article: Sheng-Run Zheng, Qing-Yuan Yang, Rui Yang, Mei Pan, Rong Cao, Cheng-Yong Su|2009|Cryst.Growth Des.|9|2341|doi:10.1021/cg801228x
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/ccs2pfy
title: CCDC 717570: Experimental Crystal Structure Determination

description: Related Article: E.C.Constable, Guoqi Zhang, C.E.Housecroft, M.Neuburger, S.Schaffner, W.-D.Woggon|2009|New J.Chem.|33|1064|doi:10.1039/b821995h
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/ccrxjpv
title: CCDC 712618: Experimental Crystal Structure Determination

description: Related Article: Lei Zhang, Lin Tan, Zhaohui Wang, Wenping Hu, Daoben Zhu|2009|Chem.Mater.|21|1993|doi:10.1021/cm900369s
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/ccs2pgz
title: CCDC 717571: Experimental Crystal Structure Determination

description: Related Article: E.C.Constable, Guoqi Zhang, C.E.Housecroft, M.Neuburger, S.Schaffner, W.-D.Woggon|2009|New J.Chem.|33|1064|doi:10.1039/b821995h
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/ccsmzhv
title: CCDC 734188: Experimental Crystal Structure Determination

description: Related Article: Lei Zhang, Lin Tan, Zhaohui Wang, Wenping Hu, Daoben Zhu|2009|Chem.Mater.|21|1993|doi:10.1021/cm900369s
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.5ky6g6
title: Occurrence Download

description: A dataset containing 342 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "Geometry POLYGON((71.73557 14.37739,139.72294 14.37739,139.72294 41.59742,71.73557 41.59742,71.73557 14.37739))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Sus scrofa"
 ]
}

 The dataset includes 342 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042583-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccry6yt
title: CCDC 713277: Experimental Crystal Structure Determination

description: Related Article: D.Kiriya, Ho-Chol Chang, K.Nakamura, D.Tanaka, K.Yoneda, S.Kitagawa|2009|Chem.Mater.|21|1980|doi:10.1021/cm900543r
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/ccry6zv
title: CCDC 713278: Experimental Crystal Structure Determination

description: Related Article: D.Kiriya, Ho-Chol Chang, K.Nakamura, D.Tanaka, K.Yoneda, S.Kitagawa|2009|Chem.Mater.|21|1980|doi:10.1021/cm900543r
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/ccrwkpv
title: CCDC 711688: Experimental Crystal Structure Determination

description: Related Article: Shanghui Ye, Yunqi Liu, Chong-an Di, Hongxia Xi, Weiping Wu, Yugen Wen, Kun Lu, Chunyan Du, Ying Liu, Gui Yu|2009|Chem.Mater.|21|1333|doi:10.1021/cm8032302
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.mz3kur
title: Occurrence Download

description: A dataset containing 13329 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Fungi)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-22.5 67.5,-15 67.5,-15 75,-22.5 75,-22.5 67.5))"
 ]
}

 The dataset includes 13329 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042585-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccrwn6g
title: CCDC 711766: Experimental Crystal Structure Determination

description: Related Article: Shanghui Ye, Yunqi Liu, Chong-an Di, Hongxia Xi, Weiping Wu, Yugen Wen, Kun Lu, Chunyan Du, Ying Liu, Gui Yu|2009|Chem.Mater.|21|1333|doi:10.1021/cm8032302
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/ccrfjqd
title: CCDC 698204: Experimental Crystal Structure Determination

description: Related Article: E.Shyu, R.M.Supkowski, R.L.LaDuca|2009|Cryst.Growth Des.|9|2481|doi:10.1021/cg801396k
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/ccrfjrf
title: CCDC 698205: Experimental Crystal Structure Determination

description: Related Article: E.Shyu, R.M.Supkowski, R.L.LaDuca|2009|Cryst.Growth Des.|9|2481|doi:10.1021/cg801396k
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/ccrfjsg
title: CCDC 698206: Experimental Crystal Structure Determination

description: Related Article: E.Shyu, R.M.Supkowski, R.L.LaDuca|2009|Cryst.Growth Des.|9|2481|doi:10.1021/cg801396k
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/ccsmfb4
title: CCDC 733656: Experimental Crystal Structure Determination

description: Related Article: A.R.O'Connor, S.A.Urbin, R.A.Moorhouse, P.S.White, M.Brookhart|2009|Organometallics|28|2372|doi:10.1021/om801103p
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/ccsmfc5
title: CCDC 733657: Experimental Crystal Structure Determination

description: Related Article: A.R.O'Connor, S.A.Urbin, R.A.Moorhouse, P.S.White, M.Brookhart|2009|Organometallics|28|2372|doi:10.1021/om801103p
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/ccrc44c
title: CCDC 695892: Experimental Crystal Structure Determination

description: Related Article: H.Helten, G.von Frantzius, G.Schnakenburg, J.Daniels, R.Streubel|2009|Eur.J.Inorg.Chem.|2009|2062|doi:10.1002/ejic.200900190
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: 10.13140/rg.2.2.29321.36965
title: Samson TAKPE, fille de Lourde (sainte Bernadette)
DOI: 10.5517/ccrc46f
title: CCDC 695894: Experimental Crystal Structure Determination

description: Related Article: H.Helten, G.von Frantzius, G.Schnakenburg, J.Daniels, R.Streubel|2009|Eur.J.Inorg.Chem.|2009|2062|doi:10.1002/ejic.200900190
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.