diff --git a/README.md b/README.md index 4ba86d5..5a06f39 100644 --- a/README.md +++ b/README.md @@ -8,6 +8,11 @@ micromamba activate admet_ai pip install -r requirements.txt pip install -e . 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