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.pre-commit-config.yaml

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types: [python]
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pass_filenames: true # For speed, we only check the files that are changed
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# Modal-app tutorial: deps (modal, abnumber) and dynamic decorators aren't resolvable in the lint env.
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exclude: ^cookbook/tutorials/esmfold2_esmc_binder_design\.py$
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exclude: ^cookbook/tutorials/binder_design\.py$
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- repo: https://github.com/gitleaks/gitleaks
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rev: v8.24.2
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hooks:

README.md

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</div>
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ESMFold2 is validated in the lab across five therapeutic targets. Inversion of ESMFold2 enables generation of de novo minibinders and antibody-derived scFvs with high hit rates, nanomolar affinities, target specificity, and functional activity. We've released the full protocol from target sequence to ranked binder design in this [notebook](https://github.com/Biohub/esm/blob/main/cookbook/tutorials/esmfold2_esmc_binder_design.ipynb). For additional details, please refer to the [preprint](https://biohub.ai/papers/esm_protein.pdf).
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ESMFold2 is validated in the lab across five therapeutic targets. Inversion of ESMFold2 enables generation of de novo minibinders and antibody-derived scFvs with high hit rates, nanomolar affinities, target specificity, and functional activity. We've released the full protocol from target sequence to ranked binder design in this [notebook](https://github.com/Biohub/esm/blob/main/cookbook/tutorials/binder_design.ipynb). For additional details, please refer to the [preprint](https://biohub.ai/papers/esm_protein.pdf).
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<div align="center">
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<img src="_assets/esmfold2_binder.png" width="60%"/>

cookbook/tutorials/README.md

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| Notebook | Colab Notebook | Description |
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| :---- | :---- | :---- |
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| Folding with ESMFold2 | `esmfold2.ipynb`<br>[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/biohub/esm/blob/main/cookbook/tutorials/esmfold2.ipynb) | Fold proteins in combination with DNA, RNA and small-molecule ligands. |
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| Binder design | `esmfold2_esmc_binder_design.ipynb`<br>[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/biohub/esm/blob/main/cookbook/tutorials/esmfold2_esmc_binder_design.ipynb) | Design antibodies and minibinders with high hit rates. Implements the protocol featured in our paper, which produced binders exhibiting nanomolar affinity, target specificity, and functional activity in laboratory assays. |
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| Binder design | `binder_design.ipynb`<br>[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/biohub/esm/blob/main/cookbook/tutorials/binder_design.ipynb) | Design antibodies and minibinders with high hit rates. Implements the protocol featured in our paper, which produced binders exhibiting nanomolar affinity, target specificity, and functional activity in laboratory assays. |
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## **ESM3**
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cookbook/tutorials/esmfold2_esmc_binder_design.ipynb renamed to cookbook/tutorials/binder_design.ipynb

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"metadata": {},
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"outputs": [],
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"source": [
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"# Deploy (or redeploy after changing modal_binder_design.py).\n",
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"# This only needs to be run a single time, unless code in esmfold2_esmc_binder_design.py changes.\n",
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"! modal deploy esmfold2_esmc_binder_design.py"
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"# Deploy (or redeploy after changing binder_design.py).\n",
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"# This only needs to be run a single time, unless code in binder_design.py changes.\n",
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"! modal deploy binder_design.py"
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]
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},
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{
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"# ---- Option 2: Provide your own sequences. ----\n",
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"# Our pd-l1 sequence crop.\n",
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"pdl1_sequence = \"AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNA\"\n",
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"# A sample of 'trastuzumab_framework_vhvl' template. From esmfold2_esmc_binder_design.py::BINDER_PROMPT_FACTORIES.\n",
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"# A sample of 'trastuzumab_framework_vhvl' template. From binder_design.py::BINDER_PROMPT_FACTORIES.\n",
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"trastuzumab_framework_vhvl = \"EVQLVESGGGLVQPGGSLRLSCAAS#######YIHWVRQAPGKGLEWVARI#####TRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSR###########WGQGTLVTVSSGGGSGGGSGGGSGGGSDIQMTQSPSSLSASVGDRVTITC###########WYQQKPGKAPKLLIY#######GVPSRFSGSRSGTDFTLTISSLQPEDFATYYC#########FGQGTKVEIK\"\n",
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"future2 = app.design.spawn(\n",
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" target_sequence=pdl1_sequence,\n",
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