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README.md
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# Example usage:
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python drug_generator.py -f bcl2.fasta -n 50
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python drug_generator.py -p MAKQPSDVSSECDREGRQLQPAERPPQLRPGAPTSLQTEPQGNPEGNHGGEGDSCPHGSPQGPLAPPASPGPFATRSPLFIFMRRSSLLSRSSSGYFSFDTDRSPAPMSCDKSTQTPSPPCQAFNHYLSAMASMRQAEPADMRPEIWIAQELRRIGDEFNAYYARRVFLNNYQAAEDHPRMVILRLLRYIVRLVWRMH -n 50
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python drug_generator.py -f bcl2.fasta -l COc1ccc(cc1)C(=O) -n 50
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# Example usage:
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## If you want to input a protein FASTA file,
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python drug_generator.py -f bcl2.fasta -n 50
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## If you want to input the amino acid sequence of the protein,
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python drug_generator.py -p MAKQPSDVSSECDREGRQLQPAERPPQLRPGAPTSLQTEPQGNPEGNHGGEGDSCPHGSPQGPLAPPASPGPFATRSPLFIFMRRSSLLSRSSSGYFSFDTDRSPAPMSCDKSTQTPSPPCQAFNHYLSAMASMRQAEPADMRPEIWIAQELRRIGDEFNAYYARRVFLNNYQAAEDHPRMVILRLLRYIVRLVWRMH -n 50
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## If you want to provide a prompt for the ligand
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python drug_generator.py -f bcl2.fasta -l COc1ccc(cc1)C(=O) -n 50
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