ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules 论文

2017Scientific Data引用 332顶会
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Machine Learning in Materials ScienceComputational Drug Discovery MethodsVarious Chemistry Research Topics
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceVarious Chemistry Research Topics
相关技术:Computational Drug Discovery MethodsMachine Learning in Materials Science
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ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules · 相关技术

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Computational Drug Discovery MethodsMachine Learning in Materials Science