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  # MultiTaskTox – LightGBM Fingerprint Classifier for Tox21
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  MultiTaskTox is a two-stage Gradient Boosting workflow purpose-built for the [Tox21](https://huggingface.co/datasets/ml-jku/tox21) benchmark. It ingests molecular SMILES strings, converts them into high-dimensional fingerprints (ECFP or MAP4), and trains a set of LightGBM classifiers that leverage cross-task signal to improve toxicity prediction across all 12 Tox21 targets.
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  - MAP4 fingerprints are more expensive to compute; enable the cache directory to avoid recomputation across runs.
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  - Use the saved metrics files to compare stage-one vs. stage-two AUCs and to trace which configuration produced a set of checkpoints.
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- Happy modeling! If you extend MultiTaskTox (new fingerprints, alternative learners, etc.), keep the `predict(smiles)` contract intact so your Space remains leaderboard compatible.
 
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+ ---
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+ title: MultiTaskTox
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+ emoji: πŸ“ˆ
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+ colorFrom: purple
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+ colorTo: blue
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+ sdk: docker
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+ pinned: false
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+ license: apache-2.0
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+ short_description: MultiTaskTox is a two-stage Gradient Boosting workflow
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+ ---
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+
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  # MultiTaskTox – LightGBM Fingerprint Classifier for Tox21
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  MultiTaskTox is a two-stage Gradient Boosting workflow purpose-built for the [Tox21](https://huggingface.co/datasets/ml-jku/tox21) benchmark. It ingests molecular SMILES strings, converts them into high-dimensional fingerprints (ECFP or MAP4), and trains a set of LightGBM classifiers that leverage cross-task signal to improve toxicity prediction across all 12 Tox21 targets.
 
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  - MAP4 fingerprints are more expensive to compute; enable the cache directory to avoid recomputation across runs.
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  - Use the saved metrics files to compare stage-one vs. stage-two AUCs and to trace which configuration produced a set of checkpoints.
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+ Happy modeling! If you extend MultiTaskTox (new fingerprints, alternative learners, etc.), keep the `predict(smiles)` contract intact so your Space remains leaderboard compatible.