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Record the duplicate rows upstream leaves in the fs training split

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  1. README.md +7 -0
README.md CHANGED
@@ -162,6 +162,13 @@ pinned revisions. It needs `rdkit` and `pandas`.
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  - Reaction subtasks are keyed on the reaction the question names, not on every
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  molecule it mentions. Common solvents and reagents recur throughout both
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  splits and keying on them would empty the training set for no gain.
 
 
 
 
 
 
 
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  - Removal is reported, never silent. If a subtask's training split is too small
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  after removal to be useful, the table above says so before you train on it.
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  - Reaction subtasks are keyed on the reaction the question names, not on every
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  molecule it mentions. Common solvents and reagents recur throughout both
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  splits and keying on them would empty the training set for no gain.
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+ - Duplicates *inside* the training split are left alone, because the rule here
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+ is about the test split. One place has many: upstream `fs_major_product.json`
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+ holds 2,788 rows but only 1,164 distinct ones, so 1,624 rows of the `fs`
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+ training split are byte-identical copies of another row, and `id` is not
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+ unique there. Every other file is clean. Drop them with
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+ `train.to_pandas().drop_duplicates()` if repeated rows would skew your
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+ training mixture.
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  - Removal is reported, never silent. If a subtask's training split is too small
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  after removal to be useful, the table above says so before you train on it.
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