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README.md

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# ESM
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[![Design a GFP](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/evolutionaryscale/esm/blob/main/cookbook/tutorials/4_forge_generate.ipynb)
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- [Installation ](#installation-)
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- [ESM 3](#esm-3-)
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- [Quickstart for ESM3 Open](#esm3-quickstart-)
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### Quickstart for ESM3-open <a name="esm3-quickstart"></a>
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```
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pip install esm
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```
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The weights are stored on HuggingFace Hub under [HuggingFace/EvolutionaryScale/esm3](https://huggingface.co/EvolutionaryScale/esm3).
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```py
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### ESM3 Example Usage
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<a name="esm3-example"></a>
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Check out our [tutorials](./cookbook/tutorials) to learn how to use ESM3.
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[Generating a novel GFP with chain of thought generation using ESM3](./cookbook/tutorials/3_gfp_design.ipynb) [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/evolutionaryscale/esm/blob/main/cookbook/tutorials/3_gfp_design.ipynb)
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[Advanced prompting with ESM3 input tracks](./cookbook/tutorials/4_forge_generate.ipynb) [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/evolutionaryscale/esm/blob/main/cookbook/tutorials/4_forge_generate.ipynb)
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## ESM C <a name="esm-c"></a>
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[ESM Cambrian](https://www.evolutionaryscale.ai/blog/esm-cambrian) is a parallel model family to our flagship ESM3 generative models. While ESM3 focuses on controllable generation of proteins, ESM C focuses on creating representations of the underlying biology of proteins.
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### ESM C Example Usage
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<a name="esm-c-example"></a>
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Check out our [tutorials](./cookbook/tutorials) to learn how to use ESM C.
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[Embedding a sequence using ESM C](./cookbook/tutorials/2_embed.ipynb) [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/evolutionaryscale/esm/blob/main/cookbook/tutorials/2_embed.ipynb)
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## Responsible Development <a name="responsible-development"></a>
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cookbook/tutorials/1_esmprotein.ipynb

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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"# Input tracks of `ESMProtein`\n",
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"# [Tutorial 1](https://github.com/evolutionaryscale/esm/tree/main/cookbook/tutorials): Input tracks of `ESMProtein`\n",
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"\n",
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"ESM3 is a frontier generative model for biology, able to jointly reason across three fundamental biological properties of proteins: sequence, structure, and function. These three data modalities are represented as tracks of discrete tokens at the input and output of ESM3. You can present the model with a combination of partial inputs across the tracks, and ESM3 will provide output predictions for all the tracks."
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]

cookbook/tutorials/2_embed.ipynb

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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"# [Tutorial 2](https://github.com/evolutionaryscale/esm/tree/main/cookbook/tutorials): Embedding with ESM C\n",
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"\n",
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"In this notebook we will see how to embed a batch of sequences using ESM C, as well as explore its different layers"
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]
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},

cookbook/tutorials/3_gfp_design.ipynb

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"id": "zWXOAcBB8h3z"
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},
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"source": [
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"# Design a GFP Candidate with ESM3\n",
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"# [Tutorial 3](https://github.com/evolutionaryscale/esm/tree/main/cookbook/tutorials): Design a GFP Candidate with ESM3\n",
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"\n",
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"This notebook walks through the computational methods used to design esmGFP in [Hayes et al., 2024](https://doi.org/10.1101/2024.07.01.600583). esmGFP has similar brightness and spectral properties as GFPs found in nature despite being a far distance (58% identity) from known fluorescent proteins, but we also found many other bright new GFPs with similar or higher sequence identity. One can likely design a lot more new GFPs with the approach sketched in this notebook!\n",
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"\n",

cookbook/tutorials/4_forge_generate.ipynb

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"cell_type": "markdown",
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"source": [
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"# ESM3\n",
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"# [Tutorial 4](https://github.com/evolutionaryscale/esm/tree/main/cookbook/tutorials): Generating with ESM3\n",
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"\n",
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"ESM3 is a frontier generative model for biology, able to jointly reason across three fundamental biological properties of proteins: sequence, structure, and function. These three data modalities are represented as tracks of discrete tokens at the input and output of ESM3. You can present the model with a combination of partial inputs across the tracks, and ESM3 will provide output predictions for all the tracks.\n",
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"\n",

cookbook/tutorials/5_guided_generation.ipynb

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"cell_type": "markdown",
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"# Guided Generation with ESM3\n",
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"# [Tutorial 5](https://github.com/evolutionaryscale/esm/tree/main/cookbook/tutorials): Guided Generation with ESM3\n",
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"\n",
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"Guided generation is a powerful tool that allows you to sample outputs out of ESM3 that maximize any kind of score function.\n",
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"\n",
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"In this notebook we will walk through a few examples to illustrate how to use guided generation. \n",
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"\n",
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"1. Guide towards high pTM for improved generation quality\n",
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"\n",
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"2. Generate a protein with no cysteine (C) residues\n",
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"\n",
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"3. Maximize protein globularity by minimizing the radius of gyration\n",
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"\n"
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]
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## pTM Guided Generation\n",
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"## Guide towards high pTM for improved generation quality\n",
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"\n",
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"Once your scoring function is defined and you have initialized your model you can create an `ESM3GuidedDecoding` instance to sample from it"
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tools/README.md

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Our tools have migrated to Apps under [Forge](https://forge.evolutionaryscale.ai/). Go check them out!

tools/generate.ipynb

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tools/invfold.ipynb

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