Dataset for: Predicting the electron density of charged systems using machine learning
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资源简介：
The files include the entire training dataset that was used in the paper "Predicting the electron density of charged systems using machine learning" (https://pubs.acs.org/doi/10.1021/acs.jpca.4c08583), which includes: charge neutral CHGCARs (charge_0_*.tgz) CHGCARs computed at charge -1 (charge_-1.tgz) CHGCARs computed at charge +1 (charge_1.tgz) CHGCARs computed at charge -2 (charge_-2.tgz) CHGCARs computed at charge +2 (charge_2.tgz) CHGCARs computed at charge -3 (charge_-3.tgz) CHGCARs computed at charge +3 (charge_3.tgz)
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Zenodo创建时间：
2025-07-02
