11 lines
327 B
Markdown
11 lines
327 B
Markdown
## 使用admet-ai预测
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```bash
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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 -e .
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python fix_admet_load.py --data_path ./data/molecules.csv --save_path ./data/preds.csv --smiles_column smiles
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``` |