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HaoZhongkai / AS_Molecule

Active learning
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Algorithm Step Clarification #9

Open mxqmxqmxq opened 2 months ago

mxqmxqmxq commented 2 months ago

Could you kindly help me clarify which part of the code corresponds to the “new labeled data” step shown in the algorithm diagram? image

HaoZhongkai commented 2 months ago

Hi, We define the AL sampler in https://github.com/HaoZhongkai/AS_Molecule/blob/baabfceba1d5dfe847285c316d21c784cc87f627/single_model_al/wsl_al.py#L75 In https://github.com/HaoZhongkai/AS_Molecule/blob/baabfceba1d5dfe847285c316d21c784cc87f627/single_model_al/wsl_al.py#L124 , we get new data.

best regards, Zhongkai