遇见数据集

molecule assembly

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Figshare2022-04-29 更新2026-04-08 收录
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For a publication on graph-based automated macro-molecular assembly, this dataset provides structure files (xyz, txyz) for the assembled structurers shown in the publication figures and molecular dynamics trajectories for the MD runs mentioned in the publication text. Further details are described in a read-me file bundled with the data.

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2022-04-29
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