TorchMD: A Deep Learning Framework for Molecular Simulations 论文

2021Journal of Chemical Theory and Computation引用 227
DOIArXivPDF
Machine Learning in Materials ScienceProtein Structure and DynamicsComputational Drug Discovery Methods
人工智能Protein Structure and DynamicsComputational Drug Discovery MethodsMachine Learning in Materials Science
相关技术:Computational Drug Discovery MethodsMachine Learning in Materials Science
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TorchMD: A Deep Learning Framework for Molecular Simulations · 作者

G

Gianni De Fabritiis

T

Toni Giorgino

F

Frank Noé

C

Cecilia Clementi

A

Andreas Krämer

A

Adrià Pérez

M

Maciej Majewski

S

Stefan Doerr