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@@ -5,7 +5,7 @@ git clone https://github.com/swansonk14/admet_ai
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cd admet_ai
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micromamba create -n admet_ai python=3.10
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micromamba activate admet_ai
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pip install -r requirements.txt
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# pip install -r requirements.txt
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pip install -e .
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admet_predict --data_path ./data/molecules.csv --save_path ./data/preds.csv --smiles_column smiles
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$env:OMP_NUM_THREADS="12"
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