Data for manuscript: "Gradients not needed: ML-driven propagation of nonadiabatic molecular dynamics without reference gradients"
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资源简介：
Dataset containing ML-models as well as datasets described in the paper.Auxiliary data for CHD is split into 4 shards, due to the size of the dataset. The AIQM1/MRCI data for azobenzene is available at:https://github.com/dralgroup/al-namd
创建时间：
2026-01-27
