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This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.

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davkovacs/BOTNet-datasets

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dataset_3BPA

dataset_3BPA

 
 

dataset_acac

dataset_acac

 
 

dataset_ethanol

dataset_ethanol

 
 

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LICENSE

 
 

README.md

README.md

 
 

dataset_3BPA.tar.gz

dataset_3BPA.tar.gz

 
 

dataset_acac.tar.gz

dataset_acac.tar.gz

 
 

dataset_ethanol.tar.gz

dataset_ethanol.tar.gz

 
 

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BOTNet-datasets

This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.

If you use them please cite https://arxiv.org/abs/2205.06643

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This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.

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