Database of DNA electron density training structures v2
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https://zenodo.org/record/7072149
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资源简介：
This database contains the data for the DNA structures used to train the e3nn machine learning electron density model in the publication, “Predicting accurate ab initio DNA electron densities with equivariant neural networks": https://doi.org/10.1016/j.bpj.2022.08.045.
Version 2 includes data files with the correct number of atoms. Energy and force data (which wasn't used to train the density model) was removed.
See the file DNA-density-database-v2.pdf for details.
创建时间：
2024-10-15
