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Docs/prompts: direct users to official MODELLER license page .github/workflows/python-publish.yml #9: Commit 06bd89f pushed by paulshamrat
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Add openmm stage workflow and simplify WT/mutant structure-sim-analys… .github/workflows/python-publish.yml #8: Commit 15b460b pushed by paulshamrat
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Docs: make WT-first Modeller workflow the canonical protocol .github/workflows/python-publish.yml #7: Commit 8ed3eef pushed by paulshamrat
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Bootstrap: optional Modeller install with interactive license prompt .github/workflows/python-publish.yml #6: Commit 3d4fcca pushed by paulshamrat
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Drive-first workflow: auto prep/run/analysis layout, prep sync, merge… .github/workflows/python-publish.yml #5: Commit 5391560 pushed by paulshamrat
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Add standalone RMSD/Rg/RMSF scripts and fix analysis interval/output … .github/workflows/python-publish.yml #4: Commit 195dc6f pushed by paulshamrat
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Fix Colab bootstrap: use base env legacy flow with robust install fal… .github/workflows/python-publish.yml #3: Commit 078af5e pushed by paulshamrat
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Add release-based install + Colab bootstrap + resume-safe OpenMM hard… .github/workflows/python-publish.yml #2: Commit 80761ad pushed by paulshamrat
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Add release-based install + Colab bootstrap + resume-safe OpenMM hard… .github/workflows/python-publish.yml #1: Commit 80761ad pushed by paulshamrat
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