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Solvated adsorbate

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@wittregr wittregr released this 18 Dec 14:07
· 155 commits to master since this release

Added new GA database of solvated adsorbates (GRWAqueous2018) built as a subset of Gu, et al. using the same training molecules and regressed to the same groups as the surface adsorbate model (GRWSurface2018)