Download model/sample.py from OneScience-Group/UniKP: direct link, hf CLI and curl.
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https://huggingface.co/OneScience-Group/UniKP/resolve/main/model/sample.py
- Command line
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hf download hf://OneScience-Group/UniKP/model/sample.py
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curl -L -o sample.py https://huggingface.co/OneScience-Group/UniKP/resolve/main/model/sample.py
254 Bytes
| from .enumerator import SmilesEnumerator | |
| sme = SmilesEnumerator() | |
| smiles = '' | |
| for i in range(10): | |
| print(sme.randomize_smiles("CN1C(=NS(=O)(=O)c2ccc(Cl)cc2)C(=NN=P(c3ccccc3)(c4ccccc4)c5ccccc5)c6ccccc16COc1ccc(Cl)cc1c2cc([nH]n2)C(=O)Nc3ccc(OC)nc3")) | |