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Merge pull request #43 from IBM/code-dev
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New `onnx` models Zenodo link and Optuna sampler bug fix
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RaulFD-creator authored Jan 9, 2025
2 parents fc2ae8f + 76dabbe commit a34f658
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2 changes: 1 addition & 1 deletion README.md
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- **Google Collaboratory Notebook:** <a href="https://colab.research.google.com/github/IBM/AutoPeptideML/blob/main/examples/AutoPeptideML_Collab.ipynb" target="_blank">AutoPeptideML_Collab.ipynb</a>
- **Paper:** <a href="https://doi.org/10.1093/bioinformatics/btae555" target="_blank">https://doi.org/10.1093/bioinformatics/btae555</a>
- **Blog post:** <a href="https://portal.valencelabs.com/blogs/post/autopeptideml-building-peptide-bioactivity-predictors-automatically-IZZKbJ3Un0qjo4i" target="_blank">Portal - AutoPeptideML Tutorial</a>
- **Models and Paper SI**: <a href="https://zenodo.org/records/13363975/files/AutoPeptideML_SI.tar.gz?download=1" target="_blank">Zenodo Repository</a>
- **Models and Paper SI**: <a href="https://zenodo.org/records/14591403/files/AutoPeptideML_SI.tar.gz?download=1" target="_blank">Zenodo Repository</a>

AutoPeptideML allows researchers without prior knowledge of machine learning to build models that are:

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3 changes: 1 addition & 2 deletions autopeptideml/autopeptideml.py
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Expand Up @@ -359,8 +359,7 @@ def hpo_train(
if 'ensemble' in config:
for study in config['ensemble']:
optuna_study = optuna.create_study(
direction="maximize",
sampler=optuna.samplers.RandomSampler(seed=self.seed)
direction="maximize"
)
if study['model'] in SYNONYMS['unidl4biopep']:
objective = UniDL4BioPep_Objective(
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