The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules 论文

2020Scientific Data引用 271顶会
DOIPDF
Machine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics
人工智能Protein Structure and DynamicsComputational Drug Discovery MethodsMachine Learning in Materials Science
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules · 作者

S

Sergei Tretiak

O

Olexandr Isayev

A

Adrián E. Roitberg

K

Kipton Barros

N

Nicholas Lubbers

B

Benjamin Nebgen

R

R.I. Zubatyuk

J

Justin S. Smith