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configs/preset/deep_dtaf.yaml
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# @package _global_
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defaults:
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- override /data/drug_featurizer: label
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- override /data/protein_featurizer: label
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- override /model/predictor: deep_dta
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data:
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drug_featurizer:
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charset: {'Z', 'Y', 'H', '[', 'O', ']', '5', 'M', 'K', '.', '9', 'e',
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'(', 'l', 'U', 'V', 'L', 'B', 'y', 'm', 'd', 'h', 'T', 'A',
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'W', 'b', 'i', 'D', 'R', '8', '/', 's', '#', 'u', '+', '@',
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'n', '%', 'F', 'r', 't', 'I', 'S', '6', 'P', 'G', 'f', ')',
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'-', '\\', 'C', 'E', 'o', '3', '2', '1', '=', 'g', 'c', 'N',
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'7', '4', 'a', '0']
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batch_size: 512
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model:
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predictor:
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smi_charset_len: ${eval:'len(${data.protein_featurizer.charset})+1'}
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