dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.

Zeng J, Peng X, Zhuang YB, Wang H, Yuan F, Zhang D, Liu R, Wang Y, Tuo P, Zhang Y, Chen Y, Li Y, Nguyen CT, Huang J, Peng A, Rynik M, Xu WH, Zhang Z, Zhou XY, Chen T, Fan J, Jiang W, Li B, Li D, Li H, Liang W, Liao R, Liu L, Luo C, Ward L, Wan K, Wang J, Xiang P, Zhang C, Zhang J, Zhou R, Zhu JX, Zhang L, Wang H

Open source

DOI: 10.1021/acs.jcim.5c01767
Published: 2025 Nov 10
Container: Journal of chemical information and modeling
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jcim.5c01767,
  title = {dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.},
  author = {Zeng J and Peng X and Zhuang YB and Wang H and Yuan F and Zhang D and Liu R and Wang Y and Tuo P and Zhang Y and Chen Y and Li Y and Nguyen CT and Huang J and Peng A and Rynik M and Xu WH and Zhang Z and Zhou XY and Chen T and Fan J and Jiang W and Li B and Li D and Li H and Liang W and Liao R and Liu L and Luo C and Ward L and Wan K and Wang J and Xiang P and Zhang C and Zhang J and Zhou R and Zhu JX and Zhang L and Wang H},
  year = {2025},
  journal = {Journal of chemical information and modeling},
  doi = {10.1021/acs.jcim.5c01767},
  url = {https://doi.org/10.1021/acs.jcim.5c01767}
}

RIS

TY  - JOUR
TI  - dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.
AU  - Zeng J
AU  - Peng X
AU  - Zhuang YB
AU  - Wang H
AU  - Yuan F
AU  - Zhang D
AU  - Liu R
AU  - Wang Y
AU  - Tuo P
AU  - Zhang Y
AU  - Chen Y
AU  - Li Y
AU  - Nguyen CT
AU  - Huang J
AU  - Peng A
AU  - Rynik M
AU  - Xu WH
AU  - Zhang Z
AU  - Zhou XY
AU  - Chen T
AU  - Fan J
AU  - Jiang W
AU  - Li B
AU  - Li D
AU  - Li H
AU  - Liang W
AU  - Liao R
AU  - Liu L
AU  - Luo C
AU  - Ward L
AU  - Wan K
AU  - Wang J
AU  - Xiang P
AU  - Zhang C
AU  - Zhang J
AU  - Zhou R
AU  - Zhu JX
AU  - Zhang L
AU  - Wang H
PY  - 2025
JO  - Journal of chemical information and modeling
DO  - 10.1021/acs.jcim.5c01767
UR  - https://doi.org/10.1021/acs.jcim.5c01767
ER  -

APA

J, Z., X, P., YB, Z., H, W., F, Y., D, Z., R, L., Y, W., P, T., Y, Z., Y, C., Y, L., CT, N., J, H., A, P., M, R., WH, X., Z, Z., XY, Z., T, C., J, F., W, J., B, L., D, L., H, L., W, L., R, L., L, L., C, L., L, W., K, W., J, W., P, X., C, Z., J, Z., R, Z., JX, Z., L, Z., & H, W. (2025). dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.5c01767

Source records

pubmed · retrieved 2026-09-26T21:21:15.089Z