cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.10449490
title: Cryo-EM image dataset of DPPC/DOPC/POPG/Chol liposomes

description: Images of extruded liposomes composed of DPPC/DOPC/POPG/Chol 40/35/5/20 mol% from Heberle et al. 2020 Proc. Natl. Acad. Sci. USA 117:19943 (https://doi.org/10.1073/pnas.2002200117). Images were acquired on an FEI Polara G2 operating at an accelerating voltage of 300 kV equipped with a Gatan K2 Summit detector operated in counting mode. The Cs of the Polara microscope was 2 mm and the pixel size for image acquisition was 2.73 Å/pixel. Each image has a corresponding CSV file containing vesicle contours generated by the MEMNET program which is part of the TARDIS software package (https://github.com/SMLC-NYSBC/TARDIS). 

DPPC is 1,2-dipalmitoyl-sn-glycero-3-phosphocholineDOPC is 1,2-dioleoyl-sn-glycero-3-phosphocholinePOPG is 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)Chol is cholesterol
DOI: 10.5281/zenodo.10449491
title: Cryo-EM image dataset of DPPC/DOPC/POPG/Chol liposomes

description: Images of extruded liposomes composed of DPPC/DOPC/POPG/Chol 40/35/5/20 mol% from Heberle et al. 2020 Proc. Natl. Acad. Sci. USA 117:19943 (https://doi.org/10.1073/pnas.2002200117). Images were acquired on an FEI Polara G2 operating at an accelerating voltage of 300 kV equipped with a Gatan K2 Summit detector operated in counting mode. The Cs of the Polara microscope was 2 mm and the pixel size for image acquisition was 2.73 Å/pixel. Each image has a corresponding CSV file containing vesicle contours generated by the MEMNET program which is part of the TARDIS software package (https://github.com/SMLC-NYSBC/TARDIS). 

DPPC is 1,2-dipalmitoyl-sn-glycero-3-phosphocholineDOPC is 1,2-dioleoyl-sn-glycero-3-phosphocholinePOPG is 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)Chol is cholesterol
DOI: 10.5281/zenodo.10449448
title: Cryo-EM image dataset of DOPC/POPG liposomes

description: Images of extruded liposomes composed of DOPC/POPG 95/5 mol% from Heberle et al. 2020 Proc. Natl. Acad. Sci. USA 117:19943 (https://doi.org/10.1073/pnas.2002200117). Images were acquired on an FEI Polara G2 operating at an accelerating voltage of 300 kV equipped with a Gatan K2 Summit detector operated in counting mode. The Cs of the Polara microscope was 2 mm and the pixel size for image acquisition was 2.73 Å/pixel. Each image has a corresponding CSV file containing vesicle contours generated by the MEMNET program which is part of the TARDIS software package (https://github.com/SMLC-NYSBC/TARDIS).

DOPC is 1,2-dioleoyl-sn-glycero-3-phosphocholinePOPG is 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)
DOI: 10.5281/zenodo.10449449
title: Cryo-EM image dataset of DOPC/POPG liposomes

description: Images of extruded liposomes composed of DOPC/POPG 95/5 mol% from Heberle et al. 2020 Proc. Natl. Acad. Sci. USA 117:19943 (https://doi.org/10.1073/pnas.2002200117). Images were acquired on an FEI Polara G2 operating at an accelerating voltage of 300 kV equipped with a Gatan K2 Summit detector operated in counting mode. The Cs of the Polara microscope was 2 mm and the pixel size for image acquisition was 2.73 Å/pixel. Each image has a corresponding CSV file containing vesicle contours generated by the MEMNET program which is part of the TARDIS software package (https://github.com/SMLC-NYSBC/TARDIS).

DOPC is 1,2-dioleoyl-sn-glycero-3-phosphocholinePOPG is 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)
DOI: 10.13012/b2idb-5148684_v1
title: Data for Disorder and diffuse scattering in single-chirality (TaSe4)2I crystals

description: Contains scattering data obtained for (TaSe4)2I at the Advanced Photon Source at Argonne National Laboratory. Beamline 6ID-D was used with a beam energy of 64.8 keV in a transmission geometry. Data was obtained at temperatures between 28 and 300 K. See the readme.txt file for more information.
DOI: 10.34740/kaggle/dsv/7319442
title: Balochi Language to English Translation Dataset
DOI: 10.5281/zenodo.10012927
title: Structural Characterization of amphiphilic co-networks in selective and non-selective solvents using 1H-NMR and SAXS

description: We investigate structural properties of model amphiphilic co-networks made by heterocomplementary end-linking of tetra-PEG tetra-PCL star polymers in selective and non-selective solvent using small-angle X-ray scattering, NMR diffusometry and double-quantum magic-angle spinning (DQ MAS) NMR techniques.Here, the data used is made accessible
DOI: 10.5281/zenodo.10012928
title: Structural Characterization of amphiphilic co-networks in selective and non-selective solvents using 1H-NMR and SAXS

description: We investigate structural properties of model amphiphilic co-networks made by heterocomplementary end-linking of tetra-PEG tetra-PCL star polymers in selective and non-selective solvent using small-angle X-ray scattering, NMR diffusometry and double-quantum magic-angle spinning (DQ MAS) NMR techniques.Here, the data used is made accessible
DOI: 10.34740/kaggle/dsv/7319565
title: RTRS Brazil Database 2023
DOI: 10.34740/kaggle/dsv/7319574
title: RTRS Brazil Database 2023
DOI: 10.5281/zenodo.10449450
title: Chemical Control of Excited-State Reactivity of the Anionic Green Fluorescent Protein Chromophore

description: Dataset related to the article entitled: Chemical Control of Excited-State Reactivity of the Anionic Green Fluorescent Protein Chromophore

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critical_points.zip

This compressed file contains the XYZ files of the critical points computed at the alpha-SA3-CASSCF(4,3)/6-31G*(cartesian) (acas) and SA3-XMS(realshift=0.3)-CASPT2(4,3)/6-31G*(cartesian) (xms) levels of theory. 

Notation:



HBDI - anionic GFP chromophore (4-hydroxybenzylidene-2,3-dimethylimidazolinone) 

TFHBDI - anionic 2,3,5-trifluorinated HBDI derivative

MHBDI - anionic 3-methoxylated HBDI derivative (out-of-plane methoxy orientation, in-plane methoxy orientation)

Information regarding the nomenclature used to label the critical points can be found in the Supporting Information of the paper


AIMS_ICs.zip

This compressed file contains the initial conditions (ICs) sampled to perform the ab-initio multiple spawning dynamics simulations for HBDI- and 2,3,5-trifluorinated HBDI- (TFHBDI–). Each IC file contains the cartesian coordinates in Bohr and the corresponding nuclear velocities in Bohr/atomic unit.

Figure_X.zip, X=4-8

These compressed files contain the data underlying the plots in the respective figures in the main text of the article.

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Computational details and extra information regarding these structures can be found in the main text and supporting information of the article.
DOI: 10.5281/zenodo.8169551
title: Chemical Control of Excited-State Reactivity of the Anionic Green Fluorescent Protein Chromophore

description: Dataset related to the article entitled: Chemical Control of Excited-State Reactivity of the Anionic Green Fluorescent Protein Chromophore

------------------------------------------------------------------------------

critical_points.zip

This compressed file contains the XYZ files of the critical points computed at the alpha-SA3-CASSCF(4,3)/6-31G*(cartesian) (acas) and SA3-XMS(realshift=0.3)-CASPT2(4,3)/6-31G*(cartesian) (xms) levels of theory. 

Notation:



HBDI - anionic GFP chromophore (4-hydroxybenzylidene-2,3-dimethylimidazolinone) 

TFHBDI - anionic 2,3,5-trifluorinated HBDI derivative

MHBDI - anionic 3-methoxylated HBDI derivative (out-of-plane methoxy orientation, in-plane methoxy orientation)

Information regarding the nomenclature used to label the critical points can be found in the Supporting Information of the paper


AIMS_ICs.zip

This compressed file contains the initial conditions (ICs) sampled to perform the ab-initio multiple spawning dynamics simulations for HBDI- and 2,3,5-trifluorinated HBDI- (TFHBDI–). Each IC file contains the cartesian coordinates in Bohr and the corresponding nuclear velocities in Bohr/atomic unit.

Figure_X.zip, X=4-8

These compressed files contain the data underlying the plots in the respective figures in the main text of the article.

----------------------------------------------------------------------------

Computational details and extra information regarding these structures can be found in the main text and supporting information of the article.
DOI: 10.5281/zenodo.8169552
title: Chemical Control of Excited-State Reactivity of the Anionic GFP Chromophore

description: Here you will find the dataset related to the article entitled: Chemical Control of Excited-State Reactivity of the Anionic GFP Chromophore ------------------------------------------------------------------------------ <strong>critical_points.zip</strong> This repository contains the XYZ files of the critical points computed at the alpha-SA3-CASSCF(4,3)/6-31G*(cartesian) (acas) and SA3-XMS(realshift=0.3)-CASPT2(4,3)/6-31G*(cartesian) (xms) levels of theory. Notation: HBDI - anionic GFP chromophore (4-hydroxybenzylidene-2,3-dimethylimidazolinone) TFHBDI - anionic 2,3,5-trifluorinated HBDI derivative MHBDI - anionic 3-methoxylated HBDI derivative (out-of-plane methoxy orientation, in-plane methoxy orientation) Information regarding this nomenclature used to label the critical points can be found in the Supporting Information of the paper. Computational details and extra information regarding these structures can be found in the main text and supporting information of the article.
DOI: 10.5517/ccdc.csd.cc290z0b
title: CCDC 2116091: Experimental Crystal Structure Determination

description: Related Article: Mohamed Saadi, Imen Dakhlaoui, Fadhel Hajlaoui, Nidhal Drissi, Mustapha Zighrioui, Fethi Jomni, Nathalie Audebrand, Marie Cordier, Karoui Karim|2023|New J.Chem.|48|182|doi:10.1039/D3NJ04819E
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.cc2gylcd
title: CCDC 2292554: Experimental Crystal Structure Determination

description: Related Article: Haonan Chen, Yizhen Chen, Tong Li, Dongmin Wang, Lei Xu, Gengwen Tan|2023|Inorg.Chem.|62|20906|doi:10.1021/acs.inorgchem.3c03353
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.cc2gyldf
title: CCDC 2292555: Experimental Crystal Structure Determination

description: Related Article: Haonan Chen, Yizhen Chen, Tong Li, Dongmin Wang, Lei Xu, Gengwen Tan|2023|Inorg.Chem.|62|20906|doi:10.1021/acs.inorgchem.3c03353
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.cc2gylfg
title: CCDC 2292556: Experimental Crystal Structure Determination

description: Related Article: Haonan Chen, Yizhen Chen, Tong Li, Dongmin Wang, Lei Xu, Gengwen Tan|2023|Inorg.Chem.|62|20906|doi:10.1021/acs.inorgchem.3c03353
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.cc2h7s9v
title: CCDC 2301387: Experimental Crystal Structure Determination

description: Related Article: Zhuang Meng, Yigao Li, Kaihao Liao, Yanyan Sun, Wenjing Zhang, Bing Song, Xinju Zhu, Xin-Qi Hao|2024|Dyes Pigm.|222|111882|doi:10.1016/j.dyepig.2023.111882
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.cc2h7scx
title: CCDC 2301389: Experimental Crystal Structure Determination

description: Related Article: Zhuang Meng, Yigao Li, Kaihao Liao, Yanyan Sun, Wenjing Zhang, Bing Song, Xinju Zhu, Xin-Qi Hao|2024|Dyes Pigm.|222|111882|doi:10.1016/j.dyepig.2023.111882
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: 10.34740/kaggle/dsv/7319634
title: RTRS Brazil Database 2023
DOI: 10.34740/kaggle/dsv/7319604
title: countries_poluation
DOI: 10.5281/zenodo.10449644
title: nanipora_kamurai_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.10449645
title: nanipora_kamurai_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.10449224
title: Midway RSS-related files backup (Results, Part 18)
DOI: 10.5281/zenodo.10449223
title: Midway RSS-related files backup (Results, Part 18)
DOI: 10.5281/zenodo.10448048
title: Midway RSS-related files backup (Results, Part 17)
DOI: 10.5281/zenodo.10448049
title: Midway RSS-related files backup (Results, Part 17)
DOI: 10.5281/zenodo.10448051
title: RSS-NET results of MSC project (Part 5)
DOI: 10.5281/zenodo.10448052
title: RSS-NET results of MSC project (Part 5)
DOI: 10.34740/kaggle/dsv/7319742
title: Forex Exchange Rates Since 2004 (Updated Daily)
DOI: 10.34740/kaggle/dsv/7319748
title: Top Spotify Songs in 73 Countries (Daily Updated)
DOI: 10.34740/kaggle/dsv/7319760
title: Trending Youtube Video Statistics (113 Countries)
DOI: 10.5519/qd.8dztyfry
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3668 records)
DOI: 10.5519/qd.ryg8e5ka
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3668 records)
DOI: 10.5281/zenodo.10443994
title: Scanning Tunneling Microscope Images of Atomic Scale Defects in Tungsten Diselenide

description: This dataset contains scanning tunneling microscope (STM) data of single crystal tungsten diselenide (WSe2) provided by the Hone-Barmak Group acquired in constant current mode from two STM systems: a Low Temperature STM (LT-STM) and a room temperature STM (RT-STM). The images are of various sizes and resolutions. 136 of the STM images have associated labels of atomic-scale defects in the form of bouding boxes and image label masks. 38 annotated images were selected to construct an augmented training dataset of images and label masks saved as numpy files for convientent model training. Original, raw STM data of WSe2 is also inculded.


Code on GitHub: <https://github.com/darianSmalley/ML-STM>
description: "STM_Data"

These 438 raw .SXM files were aquired by the Ishigami Group LT-STM in the Department of Physics at the University of Central Florida. Imageing was performed at -1.4 V bias voltage and 60 pA tunneling current setpoint in ultra high vacume (UHV) (8e-12 torr) at liquid nitrogen temperature (77 K) by a ScientaOmicron LT-STM with Specs Zurich GmbH's 'Nanonis' SPM controls. The .SXM files are sorted into sub-folders by date of aquisition.

 

"STM_images"

236 pre-processed STM images saved as .JPG. The 147 images with prefix "WSe2" are LT-STM images of crystal batch SL445, while the 89 images with prefix "WSe2_1" are RT-STM images of various crystal batches from the hone-barmak group STM.

 

Two forms of bounding box (bbox) annotations for the pre-processed STM images in the "STM_images" folder are provided in two formats: a .CSV with columns label, x, y, width, height, filename, resX, resY, and as .JSON objects which include metadata.

 

"WSe2-Defect-Training-Images_2023-05-01.npy" is the augmented training dataset of size [2,280 x 256 x 256]. It consits of 2,280 images with 256x256 resolution randomly cropped from the labeled 50 nm x 50 nm, 512 x 512 resolution STM images. "WSe2-Defect-Training-Labels_2023-05-01.npy" is the assocated atomic-scale defect segmentation mask dataset of size [2,280 x 256 x 256]. Each pixel is classified as 0 for noise or the atomic lattice, 1 for trough-like defects with dark contrast, and 2 for peak-like defects with bright contrast. Training masks were generated from the pre-processed images in "STM_images", .JSON labels, and mean defect diminsions. These augmented images and masks are the training data used for model training and evaluation.
DOI: 10.5281/zenodo.10443995
title: Scanning Tunneling Microscope Images of Atomic Scale Defects in Tungsten Diselenide

description: This dataset contains scanning tunneling microscope (STM) data of single crystal tungsten diselenide (WSe2) provided by the Hone-Barmak Group acquired in constant current mode from two STM systems: a Low Temperature STM (LT-STM) and a room temperature STM (RT-STM). The images are of various sizes and resolutions. 136 of the STM images have associated labels of atomic-scale defects in the form of bouding boxes and image label masks. 38 annotated images were selected to construct an augmented training dataset of images and label masks saved as numpy files for convientent model training. Original, raw STM data of WSe2 is also inculded.


Code on GitHub: <https://github.com/darianSmalley/ML-STM>
description: "STM_Data"

These 438 raw .SXM files were aquired by the Ishigami Group LT-STM in the Department of Physics at the University of Central Florida. Imageing was performed at -1.4 V bias voltage and 60 pA tunneling current setpoint in ultra high vacume (UHV) (8e-12 torr) at liquid nitrogen temperature (77 K) by a ScientaOmicron LT-STM with Specs Zurich GmbH's 'Nanonis' SPM controls. The .SXM files are sorted into sub-folders by date of aquisition.

 

"STM_images"

236 pre-processed STM images saved as .JPG. The 147 images with prefix "WSe2" are LT-STM images of crystal batch SL445, while the 89 images with prefix "WSe2_1" are RT-STM images of various crystal batches from the hone-barmak group STM.

 

Two forms of bounding box (bbox) annotations for the pre-processed STM images in the "STM_images" folder are provided in two formats: a .CSV with columns label, x, y, width, height, filename, resX, resY, and as .JSON objects which include metadata.

 

"WSe2-Defect-Training-Images_2023-05-01.npy" is the augmented training dataset of size [2,280 x 256 x 256]. It consits of 2,280 images with 256x256 resolution randomly cropped from the labeled 50 nm x 50 nm, 512 x 512 resolution STM images. "WSe2-Defect-Training-Labels_2023-05-01.npy" is the assocated atomic-scale defect segmentation mask dataset of size [2,280 x 256 x 256]. Each pixel is classified as 0 for noise or the atomic lattice, 1 for trough-like defects with dark contrast, and 2 for peak-like defects with bright contrast. Training masks were generated from the pre-processed images in "STM_images", .JSON labels, and mean defect diminsions. These augmented images and masks are the training data used for model training and evaluation.
DOI: 10.34740/kaggle/dsv/7319788
title: Full TMDB Movies Dataset 2023 (930K Movies)
DOI: 10.5281/zenodo.10288919
title: Multi-omics analysis of innate and adaptive responses to BCG vaccination reveals epigenetic cell states that predict trained immunity

description: This repository contains personal immune profiles of 323 healthy individuals (300BCG) subjected to Bacillus Calmette-Guérin (BCG) with blood samples collected immediately before (day 0), and 14 and 90 days after the vaccination. The personal immune profiles comprise:



immune cell concentrations measured with flow cytometry and a hematology analyzer

plasma concentrations of 73 circulating inflammatory markers

30 measurements of cytokine and lactate production capacity of peripheral blood mononuclear cells (PBMCs) in response to four microbial stimuli (Candida albicans, Escherichia coli lipopolysaccharide [LPS], Staphylococcus aureus, Mycobacterium tuberculosis).


Visit http://300BCG.bocklab.org/ to learn more.
DOI: 10.5281/zenodo.10288920
title: Multi-omics analysis of innate and adaptive responses to BCG vaccination reveals epigenetic cell states that predict trained immunity

description: This repository contains personal immune profiles of 323 healthy individuals (300BCG) subjected to Bacillus Calmette-Guérin (BCG) with blood samples collected immediately before (day 0), and 14 and 90 days after the vaccination. The personal immune profiles comprise:



immune cell concentrations measured with flow cytometry and a hematology analyzer

plasma concentrations of 73 circulating inflammatory markers

30 measurements of cytokine and lactate production capacity of peripheral blood mononuclear cells (PBMCs) in response to four microbial stimuli (Candida albicans, Escherichia coli lipopolysaccharide [LPS], Staphylococcus aureus, Mycobacterium tuberculosis).


Visit http://300BCG.bocklab.org/ to learn more.
DOI: 10.34740/kaggle/dsv/7319910
title: Daily Public Opinion on Israel-Palestine War
DOI: 10.34740/kaggle/dsv/7319940
title: Public Opinion on Climate Change (Updated Daily)
DOI: 10.5281/zenodo.10449706
title: iPSCviRPEcounts
DOI: 10.5281/zenodo.10449707
title: iPSCviRPEcounts
DOI: 10.5281/zenodo.10449703
title: Cyclic voltammtery for aluminium SILs - NCN project OPUS, grant no. 2020/37/B/ST8/00693.

description: Dataset contains results obtained during the NCN project OPUS, grant no. 2020/37/B/ST8/00693. The file presents cyclic voltammograms for solvate ionic liquids (SILs) based on Al (III).
DOI: 10.5281/zenodo.10449704
title: Cyclic voltammtery for aluminium SILs - NCN project OPUS, grant no. 2020/37/B/ST8/00693.

description: Dataset contains results obtained during the NCN project OPUS, grant no. 2020/37/B/ST8/00693. The file presents cyclic voltammograms for solvate ionic liquids (SILs) based on Al (III).
DOI: 10.25919/sh3m-0356
title: Parkes observations for project P1226 semester 2023OCTS_20

description: Fast Radio Bursts(FRBs) are often proposed as useful cosmological probes, however much work is needed to better understand the foreground environment that it propgates through, such as the Galactic ISM and Milky Way Halo. We propose to observe three satellite dwarf spheroidal galaxies of the Milky Way to search for FRBs and pulsars. We plan to take advantage of the new CryoPAF's wide field of view to survey high stellar density dwarf satellite galaxies with substantial angular sizes: Fornax, Sculptor and Sagittarius II. Detections of FRBs and pulsars will allow us to measure the Circumgalactic Medium contribution to FRB dispersion and also the dark matter halos of these dwarf galaxies.
DOI: 10.25919/3czg-ty82
title: Parkes observations for project PX500 semester 2023OCTS_03

description: This proposal relates to time purchased by the Chinese Academy of Sciences for Parkes follow-up confirmation and timing of FAST discoveries. As the observing time has been purchased this proposal (and the related PX501) does not require TAC grading. The primary reason for submitting a proposal is to ensure an outreach statement and that the proposal is entered into OPAL for the data archive to access. The Chinese team have two time requests. The time scheduled for the first, relating to this proposal, will be allocated in blocks of 24 hours and the data will become available in the data archive with an 18 month embargo period. The second type of time will be scheduled in shorter blocks and the data archived with a 10 year embargo.