cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.24435/materialscloud:5f-ns
title: Predicting the structure and swelling of microgels with different crosslinker concentrations by combining machine learning with numerical simulations

description: Microgels made of poly(N-isopropylacrylamide) are the prototype of soft, thermoresponsive particles widely used to study fundamental problems in condensed matter physics. However, their internal structure is far from homogeneous, and existing mean-field approaches, such as Flory–Rehner theory, provide only qualitative descriptions of their thermoresponsive behavior. Here, we combine machine learning and numerical simulations to accurately predict the concentration and spatial distribution of crosslinkers, the latter hitherto unknown experimentally, as well as the full swelling behavior of microgels, using only polymer density profiles. Our approach provides unprecedented insight into the structural and thermodynamic properties of any standard microgel.
DOI: 10.24435/materialscloud:y6-kb
title: Predicting the structure and swelling of microgels with different crosslinker concentrations by combining machine learning with numerical simulations

description: Microgels made of poly(N-isopropylacrylamide) are the prototype of soft, thermoresponsive particles widely used to study fundamental problems in condensed matter physics. However, their internal structure is far from homogeneous, and existing mean-field approaches, such as Flory–Rehner theory, provide only qualitative descriptions of their thermoresponsive behavior. Here, we combine machine learning and numerical simulations to accurately predict the concentration and spatial distribution of crosslinkers, the latter hitherto unknown experimentally, as well as the full swelling behavior of microgels, using only polymer density profiles. Our approach provides unprecedented insight into the structural and thermodynamic properties of any standard microgel.
DOI: 10.34740/kaggle/dsv/13801333
title: LUFlow Network Intrusion Detection Data Set
DOI: 10.15468/dl.h4bpk5
title: Occurrence Download

description: A dataset containing 215 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Russula griseocarnosa"
 ]
}

 The dataset includes 215 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046968-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bjngwk
title: Occurrence Download

description: A dataset containing 407 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Parasa lepida"
 ]
}

 The dataset includes 407 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046969-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34894/cvjyik
title: Heart Valve Society Mitral and Tricuspid Valve Database
title: HVS Mitral and Tricuspid Valve Database

description: The Heart Valve Society (HVS) Mitral and Tricuspid Valve Database is an international, prospective, multicenter registry designed to monitor and improve care for patients with mitral and/or tricuspid valve disease. This collaborative initiative brings together expertise across cardiology, cardiac surgery, and cardiovascular research to support international standardization and improve lifelong outcomes for valve disease patients. The database captures detailed clinical, imaging, procedural, and patient-reported information on adult patients undergoing surgical or transcatheter interventions for valve stenosis, regurgitation, or prosthetic valve dysfunction.

The registry supports ambispective observational cohort studies and is open to centers performing mitral and/or tricuspid valve interventions. Participating centers may enroll patients consecutively or within project-based cohorts. Data elements include 293 baseline and case-mix variables, 78 clinical and imaging outcome measures, and two validated patient-reported outcome instruments (EQ-5D-5L and the Impact on Mental Health & Daily Activities questionnaire). Outcomes and definitions are harmonized with the International Consortium for Health Outcomes Measurement (ICHOM) heart valve disease standard set. 

Controllership is regulated through a Joint Data Registry Agreement, under which all participating centers are joint controllers.The system complies with GDPR and HIPAA requirements, ensuring patient privacy through pseudonymized and anonymized data extracts.

Researchers can request access to multicenter data by submitting a research or project proposal. Users may work with data already available in the registry or initiate project-based data collection by defining a specific patient population and timeframe. After review and approval by the Scientific Committee, researchers receive a double-pseudonymized dataset suitable for analysis.

Additional documentation, including guidance on proposal requirements, registry standards, and supporting materials, is available at:
https://heartvalvesociety.org/Mitral/Registry/Documents/
All documents provided through this link and on this Dataverse page are available under a CC-BY license.
DOI: 10.15468/dl.tqvwqc
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Spodoptera frugiperda",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2003",
 "Year is less than or equal to 2025",
 "Geometry POLYGON ((-21.21398 32.72363, 44.12803 33.21309, 43.76094 74.69425, -21.09162 74.32716, -21.21398 32.72363))"
 ]
}

 The dataset includes 11 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046972-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17658116
title: ANN‑stacked hybrid model of the van Genuchten and Fredlund–Xing models for improved prediction of matric suction in a silty clay soil

description: ANN Hybrid SWCC Modeling – Dataset, Codes, and Trained Models

This repository contains all datasets, code files, and trained Artificial Neural Network (ANN) models used for the development of a hybrid Soil-Water Characteristic Curve (SWCC) prediction framework that integrates Van Genuchten (VG), Fredlund–Xing (FX), and ANN models.

The files are organized into three main folders:

1. ANN_models/

This folder contains the trained ANN models and the corresponding data scalers used during model training.

Files include:

ann_model_600.h5 – ANN model trained using 600-row generated dataset

ann_model_3000.h5 – ANN model trained using 3000-row generated dataset

ann_model_9000.h5 – ANN model trained using 9000-row generated dataset

Scalers (used to normalize/denormalize inputs and outputs):

scaler_X_600.pkl, scaler_y_600.pkl

scaler_X_3000.pkl, scaler_y_3000.pkl

scaler_X_9000.pkl, scaler_y_9000.pkl

These files are required to correctly preprocess inputs before prediction and to convert model outputs back to physical units.

2. Codes/

This folder contains all code used for:

Data generation

ANN training

Model evaluation

Plot generation

Hybrid SWCC prediction and comparison with VG and FX models

File included:

ANN Hybrid SWCC modeling.ipynb – Jupyter Notebook containing the full workflow:

Synthetic data generation

ANN hyperparameter tuning

Training best-performing models

Evaluating models on experimental suction–water content data

Plotting ANN vs VG vs FX curves

3. Suction_data/

This folder contains the raw and generated datasets used for training and validation.

Files include:

600_generated_data.csv – Generated SWCC dataset (600 points)

3000_generated_data.csv – Generated SWCC dataset (3000 points)

9000_generated_data.csv – Generated SWCC dataset (9000 points)

Experimental Suction data.xlsx – Measured experimental suction–water content data used for evaluation

These datasets include suction (ψ, kPa) and volumetric water content (θ) pairs with noise-added synthetic samples for ANN training.

How to Use the Repository

Open the Jupyter Notebook in /Codes/

Load the appropriate model and scalers from /ANN_models/

Load experimental or custom suction data from /Suction_data/

Run predictions or regenerate the plots

Compare ANN predictions with VG and FX models

Contact

For questions or clarification, please contact the author.
DOI: 10.5281/zenodo.17658117
title: ANN‑stacked hybrid model of the van Genuchten and Fredlund–Xing models for improved prediction of matric suction in a silty clay soil

description: ANN Hybrid SWCC Modeling – Dataset, Codes, and Trained Models

This repository contains all datasets, code files, and trained Artificial Neural Network (ANN) models used for the development of a hybrid Soil-Water Characteristic Curve (SWCC) prediction framework that integrates Van Genuchten (VG), Fredlund–Xing (FX), and ANN models.

The files are organized into three main folders:

1. ANN_models/

This folder contains the trained ANN models and the corresponding data scalers used during model training.

Files include:

ann_model_600.h5 – ANN model trained using 600-row generated dataset

ann_model_3000.h5 – ANN model trained using 3000-row generated dataset

ann_model_9000.h5 – ANN model trained using 9000-row generated dataset

Scalers (used to normalize/denormalize inputs and outputs):

scaler_X_600.pkl, scaler_y_600.pkl

scaler_X_3000.pkl, scaler_y_3000.pkl

scaler_X_9000.pkl, scaler_y_9000.pkl

These files are required to correctly preprocess inputs before prediction and to convert model outputs back to physical units.

2. Codes/

This folder contains all code used for:

Data generation

ANN training

Model evaluation

Plot generation

Hybrid SWCC prediction and comparison with VG and FX models

File included:

ANN Hybrid SWCC modeling.ipynb – Jupyter Notebook containing the full workflow:

Synthetic data generation

ANN hyperparameter tuning

Training best-performing models

Evaluating models on experimental suction–water content data

Plotting ANN vs VG vs FX curves

3. Suction_data/

This folder contains the raw and generated datasets used for training and validation.

Files include:

600_generated_data.csv – Generated SWCC dataset (600 points)

3000_generated_data.csv – Generated SWCC dataset (3000 points)

9000_generated_data.csv – Generated SWCC dataset (9000 points)

Experimental Suction data.xlsx – Measured experimental suction–water content data used for evaluation

These datasets include suction (ψ, kPa) and volumetric water content (θ) pairs with noise-added synthetic samples for ANN training.

How to Use the Repository

Open the Jupyter Notebook in /Codes/

Load the appropriate model and scalers from /ANN_models/

Load experimental or custom suction data from /Suction_data/

Run predictions or regenerate the plots

Compare ANN predictions with VG and FX models

Contact

For questions or clarification, please contact the author.
DOI: 10.5517/ccdc.csd.cc2n0kv3
title: CCDC 2443415: Experimental Crystal Structure Determination

description: Related Article: Chao Zhang, Shaoqun Li, Tingwei Wang, Binshan Zhao, Zujia Lu, Cong Li, Qiyao Yu, Jianguo Zhang|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c03950
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.adhtnx
title: Occurrence Download

description: A dataset containing 2466 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Conogethes punctiferalis"
 ]
}

 The dataset includes 2466 records from 65 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046973-251025141854904/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.cc2n0kz7
title: CCDC 2443419: Experimental Crystal Structure Determination

description: Related Article: Chao Zhang, Shaoqun Li, Tingwei Wang, Binshan Zhao, Zujia Lu, Cong Li, Qiyao Yu, Jianguo Zhang|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c03950
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.cc2n1r3l
title: CCDC 2444539: Experimental Crystal Structure Determination

description: Related Article: Wei Huang, Gessica M. Adornato, Maggie Horst, Turki M. Alturaifi, Kaipeng Hou, Peng Liu, William F. DeGrado, Yang Yang|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c13909
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.cc2mxrjv
title: CCDC 2440708: Experimental Crystal Structure Determination

description: Related Article: Tapas Halder, Ratul Hore, Susanta Das, Subhadip Sett, Joykrishna Maity|2025|RSC Advances|15|40390|doi:10.1039/d5ra05811b
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.cc2n5h6k
title: CCDC 2448138: Experimental Crystal Structure Determination

description: Related Article: Elliot J. Nicholson, Lyall R. Hanton, Lauren K. Macreadie|2025|CrystEngComm|27|7135|doi:10.1039/d5ce00470e
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.cc2n5h7l
title: CCDC 2448139: Experimental Crystal Structure Determination

description: Related Article: Elliot J. Nicholson, Lyall R. Hanton, Lauren K. Macreadie|2025|CrystEngComm|27|7135|doi:10.1039/d5ce00470e
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.cc2n5h9n
title: CCDC 2448141: Experimental Crystal Structure Determination

description: Related Article: Elliot J. Nicholson, Lyall R. Hanton, Lauren K. Macreadie|2025|CrystEngComm|27|7135|doi:10.1039/d5ce00470e
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.cc2n5h5j
title: CCDC 2448137: Experimental Crystal Structure Determination

description: Related Article: Elliot J. Nicholson, Lyall R. Hanton, Lauren K. Macreadie|2025|CrystEngComm|27|7135|doi:10.1039/d5ce00470e
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.cc2n5h8m
title: CCDC 2448140: Experimental Crystal Structure Determination

description: Related Article: Elliot J. Nicholson, Lyall R. Hanton, Lauren K. Macreadie|2025|CrystEngComm|27|7135|doi:10.1039/d5ce00470e
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.cc2m9mrb
title: CCDC 2422332: Experimental Crystal Structure Determination

description: Related Article: Andriani Furoida, Kazuhisa Ozaki, Ryoko Niimi, Arushi Rawat, Kohsuke Matsumoto, Kaori Fujisawa, Osamu Tsutsumi|2025|Chem.Commun.|61|18172|doi:10.1039/d5cc04683a
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.cc2n5hbp
title: CCDC 2448142: Experimental Crystal Structure Determination

description: Related Article: Elliot J. Nicholson, Lyall R. Hanton, Lauren K. Macreadie|2025|CrystEngComm|27|7135|doi:10.1039/d5ce00470e
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.cc2pn73q
title: CCDC 2492093: Experimental Crystal Structure Determination

description: Related Article: L. Simon, H. Detert, D. Schollmeyer|2025|IUCrData|10|x250854|doi:10.1107/S2414314625008545
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.cc2pf5z9
title: CCDC 2485331: Experimental Crystal Structure Determination

description: Related Article: M.D. Baskaran, S. Jayaraman, M. Hemamalini, M.R.J. Elsegood, V. Rajakannan, S.J. Kavitha|2025|IUCrData|10|x250868|doi:10.1107/S2414314625008685
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.cc2pq68x
title: CCDC 2493989: Experimental Crystal Structure Determination

description: Related Article: P. Solo, M. Pillay, M. Arockia doss, T.R. William Raja|2025|IUCrData|10|x250877|doi:10.1107/S2414314625008776
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.cc2prg53
title: CCDC 2495195: Experimental Crystal Structure Determination

description: Related Article: S.V. Bai, P.F. Mensah, G. Li, F.R. Fronczek, R.M. Uppu|2025|IUCrData|10|x250893|doi:10.1107/S2414314625008934
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.cc2ps16r
title: CCDC 2495754: Experimental Crystal Structure Determination

description: Related Article: M.I. Bozorova, K.K. Turaev, B.K. Alimnazarov, A.A. Rasulov, B.T. Ibragimov, J.M. Ashurov|2025|IUCrData|10|x250901|doi:10.1107/S2414314625009010
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.cc2pstjv
title: CCDC 2496508: Experimental Crystal Structure Determination

description: Related Article: S. Ahrens, A. Spannenberg, M. Beller, K. Junge|2025|IUCrData|10|x250916|doi:10.1107/S2414314625009162
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.cc2pt6vl
title: CCDC 2496890: Experimental Crystal Structure Determination

description: Related Article: S.J. Zamisa, A.A. Adeleke, O. Zinyemba, B. Omondi|2025|IUCrData|10|x250925|doi:10.1107/S2414314625009253
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.