Dataset
DeePMD-SE
Download Dataset XYZ file
| Name | DeePMD-SE |
|---|---|
| Extended ID | DeePMD-SE_ZhangHanWangSaidiCarE__DS_kotuk00qiuog_0 |
| Description | 127,000 configurations from a dataset used to benchmark and train a modified DeePMD model called DeepPot-SE, or Deep Potential - Smooth Edition |
| Authors |
Linfeng Zhang Jiequn Han Han Wang Wissam A. Saidi Roberto Car Weinan E |
| Elements |
C (11.66%) H (11.66%) N (2.33%) Mo (5.98%) Pt (7.98%) S (11.96%) Si (9.92%) Al (2.06%) O (12.86%) Co (1.64%) Cr (1.64%) Fe (1.64%) Mn (1.64%) Ni (1.64%) Ti (4.89%) Ge (7.35%) Cu (3.17%) |
| Number of Data Objects | 126,636 |
| Number of Configurations | 126,793 |
| Number of Atoms | 26,235,685 |
| Links |
https://www.aissquare.com/datasets/detail?pageType=datasets&name=deepmd-se-dataset https://doi.org/10.48550/arXiv.1805.09003 |
| Configuration Sets by Name |
DeePMD-SE-Al2O3 — Al2O3 configurations from DeePMD-SE dataset DeePMD-SE-Cu — Cu configurations from DeePMD-SE dataset DeePMD-SE-Ge — Ge configurations from DeePMD-SE dataset DeePMD-SE-HEA — CoCrFeMnNi high entropy alloy (HEA) configurations from DeePMD-SE dataset DeePMD-SE-MoS2-Pt — MoS2 + Pt configurations from DeePMD-SE dataset DeePMD-SE-pyridine — Pyridine configurations from DeePMD-SE dataset DeePMD-SE-Si — Si configurations from DeePMD-SE dataset DeePMD-SE-TiO2 — TiO2 configurations from DeePMD-SE dataset |
| Configuration Sets by ID |
CS_clc5f7ldq3bg_0 CS_wo33d0f404e1_0 CS_hlx15kwu89ss_0 CS_gaixgpar3z1r_0 CS_96zqmd77zf16_0 CS_021y2g940wwo_0 CS_e87bbwr1ov8m_0 CS_fs9v5mduorfk_0 |
| Data Objects | Too many to display |
| ColabFit ID | DS_kotuk00qiuog_0 |
| Files | colabfitspec.json |
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