lingyuzeng/admet-ai
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update win use

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2025-08-27 22:41:35 +08:00
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@@ -8,6 +8,11 @@ micromamba activate admet_ai
pip install -r requirements.txt pip install -r requirements.txt
pip install -e . pip install -e .
admet_predict --data_path ./data/molecules.csv --save_path ./data/preds.csv --smiles_column smiles admet_predict --data_path ./data/molecules.csv --save_path ./data/preds.csv --smiles_column smiles
$env:OMP_NUM_THREADS="12"
$env:MKL_NUM_THREADS="12"
$env:NUMEXPR_NUM_THREADS="12"
$env:PYTORCH_NUM_THREADS="12"
admet_predict --data_path ./data/molecules.csv --save_path ./data/preds.csv --smiles_column smiles --num_workers 0 --no_cache_molecules
``` ```
## pytorch 降级 ## pytorch 降级