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Add Docker usage instructions to README
- Add Docker pull and run commands - Include volume mounting for output files - Complete DockerHub deployment documentation
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README.md

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@@ -56,6 +56,21 @@ Generate 100 9-mer peptides using ESM2 (direct generation):
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python scripts/generation/generate_control_peptides.py --source llm --llm_model esm2 --length 9 --count 100 --output ESM2-9mer-100.fasta
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```
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## Docker Usage
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Run the tool using Docker (no local setup required):
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```bash
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# Pull the latest image
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docker pull chris2004m/peptide-sequence-synthesis:latest
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# Run with Docker (interactive mode)
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docker run -it --rm -v $(pwd)/output:/app/output chris2004m/peptide-sequence-synthesis:latest
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# Inside the container, run any of the commands above, e.g.:
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python scripts/generation/generate_control_peptides.py --source random --length 9 --count 100 --output output/Random-9mer-100.fasta
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```
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## Acknowledgements
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- [ProtGPT2](https://huggingface.co/nferruz/ProtGPT2)

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