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cdvae

Our version of Xie et al's CD-VAE, an SE(3)-invariant autoencoder for materials

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3

Last push

41mo ago

Recent commits

Latest commits.

Merge pull request #6 from 760-Project/jwhite/qm9-intro
c646ae2Jake White43mo ago
Merge pull request #8 from 760-Project/jwhite/mp-runs
c2eddb7Jake White43mo ago
Merge pull request #9 from 760-Project/jwhite/pred-analysis
8a1fa95Jake White43mo ago
added in histograms by atom count
eecb338Jake White43mo ago
added a paired diff version of the original plot
b5ccf5dJake White43mo ago

accelerated inference script with gpu

e21992fJake White43mo ago

utilities to generate preds with colab-trained ckpts

e51d18aJake White43mo ago

changed valueerror to a warning

20afa62Jake White43mo ago

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