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MolecularAI / ReinventCommunity

MIT License
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Saving trained model #12

Closed MiloszGrabski closed 3 years ago

MiloszGrabski commented 3 years ago

Hi, How do I recover trained model (I assume from results/Agent.ckpt) and use it to generate compounds without retraining? Kind regards, M

CMargreitter commented 3 years ago

Hi Milosz,

If I understand your question correctly, you should have a look at the Sampling Notebook. It explains how to sample further compounds from a given model state (agent).

Best, Christian

MiloszGrabski commented 3 years ago

Hi Christian, Thank you, this is exactly what I was looking for. Kinds regards, Milosz