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fast molopt #32

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redBirdTx opened this issue Jan 29, 2019 · 1 comment
Open

fast molopt #32

redBirdTx opened this issue Jan 29, 2019 · 1 comment

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@redBirdTx
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Dear Wengong,

Does molopt have a faster implementation as well? (Skipping pretrain and use the vae_train.py with annealing strategy)?

Thank you!

@redBirdTx redBirdTx changed the title Replace LogP-SA to another property fast molopt Jan 29, 2019
@wengong-jin
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wengong-jin commented Jan 30, 2019

Currently not. In terms of conditional optimization, we developed a new method called graph-to-graph translation that performs much better than running gradient ascent over VAE latent space. The paper and github link is here: https://github.com/wengong-jin/iclr19-graph2graph. We suggest you to use that for conditional optimization instead.

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