cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccx9rrp
title: CCDC 843533: Experimental Crystal Structure Determination

description: Related Article: Yue Wu, Shangjun Chen, Yuheng Yang, Qiong Zhang, Yongshu Xie, He Tian, Weihong Zhu|2012|Chem.Commun.|48|528|doi:10.1039/c1cc15824d
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/ccx4x42
title: CCDC 838864: Experimental Crystal Structure Determination

description: Related Article: Qilong Zhu, Chaojun Shen, Chunhong Tan, Tianlu Sheng, Shengmin Hu, Xintao Wu|2012|Chem.Commun.|48|531|doi:10.1039/c1cc15138j
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/ccx4x53
title: CCDC 838865: Experimental Crystal Structure Determination

description: Related Article: Qilong Zhu, Chaojun Shen, Chunhong Tan, Tianlu Sheng, Shengmin Hu, Xintao Wu|2012|Chem.Commun.|48|531|doi:10.1039/c1cc15138j
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/ccv7rtm
title: CCDC 782031: Experimental Crystal Structure Determination

description: Related Article: Shuo-ping Chen, Le Hu, Yu-qin Zhang, Pu Deng, Cong Li, Xi Chen, Liang-jie Yuan|2012|Chem.Commun.|48|552|doi:10.1039/c1cc16415e
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/ccxb7k0
title: CCDC 843992: Experimental Crystal Structure Determination

description: Related Article: S.C.Sau, S.Santra, T.K.Sen, S.K.Mandal, D.Koley|2012|Chem.Commun.|48|555|doi:10.1039/c1cc15732a
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/ccx8gsd
title: CCDC 842294: Experimental Crystal Structure Determination

description: Related Article: M.Gennari, J.Pecaut, S.DeBeer, F.Neese, M.-N.Collomb, C.Duboc|2011|Angew.Chem.,Int.Ed.|50|5662|doi:10.1002/anie.201100605
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/ccxb7l1
title: CCDC 843993: Experimental Crystal Structure Determination

description: Related Article: S.C.Sau, S.Santra, T.K.Sen, S.K.Mandal, D.Koley|2012|Chem.Commun.|48|555|doi:10.1039/c1cc15732a
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/ccx8gtf
title: CCDC 842295: Experimental Crystal Structure Determination

description: Related Article: M.Gennari, J.Pecaut, S.DeBeer, F.Neese, M.-N.Collomb, C.Duboc|2011|Angew.Chem.,Int.Ed.|50|5662|doi:10.1002/anie.201100605
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/ccx8gwh
title: CCDC 842297: Experimental Crystal Structure Determination

description: Related Article: M.Lehmann, A.Schulz, A.Villinger|2011|Angew.Chem.,Int.Ed.|50|5221|doi:10.1002/anie.201100663
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/ccx8gxj
title: CCDC 842298: Experimental Crystal Structure Determination

description: Related Article: M.Lehmann, A.Schulz, A.Villinger|2011|Angew.Chem.,Int.Ed.|50|5221|doi:10.1002/anie.201100663
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/ccx8gyk
title: CCDC 842299: Experimental Crystal Structure Determination

description: Related Article: M.Lehmann, A.Schulz, A.Villinger|2011|Angew.Chem.,Int.Ed.|50|5221|doi:10.1002/anie.201100663
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/ccx8gzl
title: CCDC 842300: Experimental Crystal Structure Determination

description: Related Article: M.Lehmann, A.Schulz, A.Villinger|2011|Angew.Chem.,Int.Ed.|50|5221|doi:10.1002/anie.201100663
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.2.2.15937.94567/1
title: low offset low TC Hall element-1020
DOI: 10.5517/ccx8gp9
title: CCDC 842291: Experimental Crystal Structure Determination

description: Related Article: F.J.Williams, E.R.Jarvo|2011|Angew.Chem.,Int.Ed.|50|4459|doi:10.1002/anie.201008160
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/ccxyfjs
title: CCDC 862436: Experimental Crystal Structure Determination

description: Related Article: A.Schulz, A.Villinger|2012|Chem.-Eur.J.|18|2902|doi:10.1002/chem.201102656
description: Related Article: A.Villinger, A.Schulz|2010|Angew.Chem.,Int.Ed.|49|8017|doi:10.1002/anie.201002179
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/ccvm83t
title: CCDC 793076: Experimental Crystal Structure Determination

description: Related Article: Zhibin Zhang, Yan Xu, Lei Zheng, Dunru Zhu, You Song|2011|CrystEngComm|13|2191|doi:10.1039/c0ce00722f
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/ccx35nt
title: CCDC 837206: Experimental Crystal Structure Determination

description: Related Article: A.Krogul, J.Cedrowski, K.Wiktorska, W.P.Oziminski, J.Skupinska, G.Litwinienko|2012|Dalton Trans.|41|658|doi:10.1039/c1dt11412c
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/ccvmy1f
title: CCDC 793725: Experimental Crystal Structure Determination

description: Related Article: Xiuli Wang, Jin Li, Aixiang Tian, Guocheng Liu, Qiang Gao, Hongyan Lin, Dan Zhao|2011|CrystEngComm|13|2194|doi:10.1039/c0ce00845a
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/ccvyh9k
title: CCDC 802909: Experimental Crystal Structure Determination

description: Related Article: Zhibin Zhang, Yan Xu, Lei Zheng, Dunru Zhu, You Song|2011|CrystEngComm|13|2191|doi:10.1039/c0ce00722f
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/ccvgq44
title: CCDC 788706: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgq55
title: CCDC 788707: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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.12741480
title: TCR-DeepInsight Reference Datasets

description: Reference single-cell TCR immune profiling datasets for the TCR-DeepInsight analysis. We have excluded two controlled-access datasets (1) AML dataset from Abbas et al. 2021 (EGAS00001004894) and (2) Kawasaki disease dataset from Wang et al., 2021 (OEP001162).



human_gex_reference_v2.h5ad: Processed H5AD file for transcriptome features from the single-cell TCR immune profiling datasets. anndata.read_h5adFor raw count H5AD files, please check the additional repo here: https://zenodo.org/records/17405143

human_tcr_reference_v2.h5ad: Processed H5AD file for unique TCR clonotypes single-cell TCR immune profiling dataset. anndata.read_h5ad

Yi_2023_Ankylosing_Spondylitis.h5ad: Processed H5AD file from Yi et al., 2023 (GSE216885). anndata.read_h5ad

GSE272993_cd8_nn_labeled_FINAL.fl_tcr.match_v2_5.transfered.h5ad: Processed H5AD file from Wang et al., 2024 (GSE272993). anndata.read_h5ad

human_bulk_tcr_reference.parquet: PARQUET file for bulk TCRβ sequencing. pandas.read_parquet



human_bulk_tcr_reference.cd4.parquet: PARQUET file for bulk TCRβ sequencing for CD4-sorted T cellshuman_bulk_tcr_reference.mait.parquet: PARQUET file for bulk TCRβ sequencing for MAIT cellshuman_bulk_tcr_reference.treg.parquet: PARQUET file for bulk TCRβ sequencing for Treg cellshuman_bulk_tcr_reference.cd8.parquet: PARQUET file for bulk TCRβ sequencing for CD8-sorted T cells



Yi_2023_Ankylosing_Spondylitis.h5ad. anndata.read_h5adProcessed dataset from K. Yi et al. Analysis of Single‐Cell Transcriptome and Surface Protein Expression in Ankylosing Spondylitis Identifies OX40 ‐Positive and Glucocorticoid‐Induced Tumor Necrosis Factor Receptor–Positive Pathogenic Th17 Cells. Arthritis & Rheumatology 75, 1176–1186 (2023).

GSE272993_cd8_nn_labeled_FINAL.fl_tcr.match_v2_5.transfered.h5ad. anndata.read_h5adProcessed dataset from K. Wang et al. Combination anti-PD-1 and anti-CTLA-4 therapy generates waves of clonal responses that include progenitor-exhausted CD8+ T cells. Cancer Cell, S1535610824003064 (2024).




human_gex_reference_v2.scatlasvae.ckpt: pretrained weight state dict from scAtlasVAE model for human_gex_reference_v2.h5ad. torch.load

human_bert_pseudosequence.tcr_v2.ckpt: pretrained weight state dict from BERT for human_tcr_reference_v2.h5ad. torch.load

human_bert_pseudosequence_pca.tcr_v2.pkl: pretrained PCA weight for human_tcr_reference_v2.h5ad. pickle.load
DOI: 10.5281/zenodo.8192880
title: TCR-DeepInsight Reference Datasets

description: Reference single-cell TCR immune profiling datasets for the TCR-DeepInsight analysis. We have excluded two controlled-access datasets (1) AML dataset from Abbas et al. 2021 (EGAS00001004894) and (2) Kawasaki disease dataset from Wang et al., 2021 (OEP001162).



human_gex_reference_v2.h5ad: Processed H5AD file for transcriptome features from the single-cell TCR immune profiling datasets. anndata.read_h5adFor raw count H5AD files, please check the additional repo here: https://zenodo.org/records/17405143

human_tcr_reference_v2.h5ad: Processed H5AD file for unique TCR clonotypes single-cell TCR immune profiling dataset. anndata.read_h5ad

Yi_2023_Ankylosing_Spondylitis.h5ad: Processed H5AD file from Yi et al., 2023 (GSE216885). anndata.read_h5ad

GSE272993_cd8_nn_labeled_FINAL.fl_tcr.match_v2_5.transfered.h5ad: Processed H5AD file from Wang et al., 2024 (GSE272993). anndata.read_h5ad

human_bulk_tcr_reference.parquet: PARQUET file for bulk TCRβ sequencing. pandas.read_parquet



human_bulk_tcr_reference.cd4.parquet: PARQUET file for bulk TCRβ sequencing for CD4-sorted T cellshuman_bulk_tcr_reference.mait.parquet: PARQUET file for bulk TCRβ sequencing for MAIT cellshuman_bulk_tcr_reference.treg.parquet: PARQUET file for bulk TCRβ sequencing for Treg cellshuman_bulk_tcr_reference.cd8.parquet: PARQUET file for bulk TCRβ sequencing for CD8-sorted T cells



Yi_2023_Ankylosing_Spondylitis.h5ad. anndata.read_h5adProcessed dataset from K. Yi et al. Analysis of Single‐Cell Transcriptome and Surface Protein Expression in Ankylosing Spondylitis Identifies OX40 ‐Positive and Glucocorticoid‐Induced Tumor Necrosis Factor Receptor–Positive Pathogenic Th17 Cells. Arthritis & Rheumatology 75, 1176–1186 (2023).

GSE272993_cd8_nn_labeled_FINAL.fl_tcr.match_v2_5.transfered.h5ad. anndata.read_h5adProcessed dataset from K. Wang et al. Combination anti-PD-1 and anti-CTLA-4 therapy generates waves of clonal responses that include progenitor-exhausted CD8+ T cells. Cancer Cell, S1535610824003064 (2024).




human_gex_reference_v2.scatlasvae.ckpt: pretrained weight state dict from scAtlasVAE model for human_gex_reference_v2.h5ad. torch.load

human_bert_pseudosequence.tcr_v2.ckpt: pretrained weight state dict from BERT for human_tcr_reference_v2.h5ad. torch.load

human_bert_pseudosequence_pca.tcr_v2.pkl: pretrained PCA weight for human_tcr_reference_v2.h5ad. pickle.load
DOI: 10.5517/ccvgq66
title: CCDC 788708: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgq77
title: CCDC 788709: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgq88
title: CCDC 788710: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgq99
title: CCDC 788711: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqbb
title: CCDC 788712: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqcc
title: CCDC 788713: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqdd
title: CCDC 788714: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqff
title: CCDC 788715: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqgg
title: CCDC 788716: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqhh
title: CCDC 788717: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqjj
title: CCDC 788718: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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/ccvgqkk
title: CCDC 788719: Experimental Crystal Structure Determination

description: Related Article: H.Wahl, D.A.Haynes, T.le Roex|2011|CrystEngComm|13|2227|doi:10.1039/c0ce00528b
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.