Generalize prediction logic - #135

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fix/generalize_predict_func

Commits on Nov 16, 2025

use instantiate model to load data and model from ckpt
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465b651
update readme
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2acd166

Commits on Nov 17, 2025

set no grad for predict
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cfbf392

Commits on Nov 26, 2025

predict pipeline in dm and lm
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82b365c
there is no need that predict func must depend on trainer
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fa6f1b5

Commits on Nov 27, 2025

model hparams for data predict pipeline and vice versa
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ae47608
fix reader ident error
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517a5a2
fix label None error
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40491e5
fix cli predict_from_file error
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7b7e48f
update readme for new prediction method
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6a38317
Revert "fix reader ident error"
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31b12db

Commits on Nov 28, 2025

modify pred logic to store model and dm as instance var
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c6e8b61

Commits on Dec 6, 2025

fix for unwanted args to predict_smiles
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63670dd
avoid non_null_labels key in loss kwargs
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d906ad4
compile model
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ba5884a
revert the comment line for splits file path
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5a17f72

Commits on Dec 12, 2025

handle augment electra and old ckpt files
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bd59d59

Commits on Dec 13, 2025

remove unnec device
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6b8ae09

Commits on Dec 18, 2025

Commits on Jan 8, 2026

assert i/p and o/p dim greater than 0
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3dbf9ae
for None pred, fill corresponding row with None values across the cols
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811fbf1
save classification labels to checkpoints
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0ea3490
update for prediction logic how ckpts with class labels
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a1cdaca
pre-commit format
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330a8c2
update test for cli change
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704af93