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Possibility of incorporating RL #13

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EXJUSTICE opened this issue Apr 3, 2020 · 0 comments
Open

Possibility of incorporating RL #13

EXJUSTICE opened this issue Apr 3, 2020 · 0 comments

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@EXJUSTICE
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Reinforcement learning uses MLP architectures by design, hence in theory it should be possible to implement in OpenChem. Rewards tend to be passed into the model as a loss via LogP or QED in literature. Would such an approach be feasible in OpenChem?

(Do RL myself, but no familiarity with molecular design)

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