ML_AB datasets - Hydorated covalent organic framework

Minami, Saori;Kin, Masane;Takahashi, Kazuki;Sato, Takashi;Jinnouchi, Ryosuke

Description

RPBE+D3 datasets for hydrated COFs in the VASP ML_AB format. It includes reference structures, energy, forces, and the stress tensor.File nameCOFside chain lengthwater uptakeML_AB_S3_0_1COF-S301ML_AB_S3_0_2COF-S302ML_AB_S3_0_4COF-S304ML_AB_S3_1_1COF-S311ML_AB_S3_1_2COF-S312ML_AB_S3_2_1COF-S321ML_AB_S3_2_2COF-S322ML_AB_S3_3_2COF-S332ML_AB_S6_0_05COF-S600.5ML_AB_S6_0_1COF-S601ML_AB_S6_0_2COF-S602ML_AB_S6_1_05COF-S610.5ML_AB_S6_1_1COF-S611ML_AB_S6_1_2COF-S612ML_AB_S6_2_1COF-S621ML_AB_S6_3_1COF-S631

Citations (0)

Mentions (0)

Metrics

Dataset Index

0.4

FAIR Score

65%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Zenodo

License

Creative Commons Attribution 4.0 International

Assigned Domain

Subfield

Molecular Biology

Field

Biochemistry, Genetics and Molecular Biology

Domain

Life Sciences

Confidence Score

32%

Source

Scholar Data Model

Normalization Factors

FT

53.85

CTw

1.00

MTw

1.00