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Merge pull request #147 from OpenProteinAI/develop
[PROD] RosettaFold-3 release 03/10
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source/web-app/structure-prediction/using-structure-prediction.rst

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We recommend using:
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- ESMFold for predictions that must be completed quickly.
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- AlphaFold2 for predictions where accuracy is more important than speed. AlphaFold2 creates and samples an MSA in order to perform structure predictions, which increases accuracy but is slower than ESMFold.
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- Boltz-1 focuses on high-accuracy modeling of biomolecular structures — including proteins, DNA, and RNA — and produces static 3D models of molecular complexes with structural accuracy comparable to AlphaFold3.
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- Boltz-2 is the recommended model for proteins, RNA, DNA and ligands. It expands from Boltz-1 from static complexes to dynamic structural ensembles. This means Boltz‑2 can model how biomolecules move and interact over time.
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- MiniFold is a fast single-sequence structure prediction model built on ESM-2, delivering accuracy comparable to ESMFold while reducing inference time by 10–20×. It is designed for rapid prediction of large numbers of protein structures and currently supports single-chain proteins
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- ESMFold for predictions that must be completed quickly.
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- MiniFold is a fast single-sequence structure prediction model built on ESM-2, delivering accuracy comparable to ESMFold while reducing inference time by 10–20×. It is designed for rapid prediction of large numbers of protein structures and currently supports single-chain proteins.
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- RosettaFold-3 is a three-track neural network for protein structure and complex prediction, useful for modeling protein-protein interactions and supporting experimental structure determination.
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Accessing the Structure Prediction tool
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use AlphaFold2, select **AlphaFold2** in the **Model type** dropdown menu. The
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sequence you selected in the data table is auto-populated.
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Using ESMFold
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-------------
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If you select **ESMFold**, the **Advanced Options** section allows you to set
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the **Number of recycles**. This allows the network to further refine structures by using the previous cycle’s output as the new cycle’s input. This parameter is set to **auto** by default and accepts integers between 1 and 48.
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.. image:: ../../_static/structure-prediction/ESMFold.png
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:alt: ESMFold
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Using AlphaFold2
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----------------
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.. image:: ../../_static/structure-prediction/boltz.png
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:alt: Boltz-1 and Boltz-2
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Using ESMFold
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-------------
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If you select **ESMFold**, the **Advanced Options** section allows you to set
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the **Number of recycles**. This allows the network to further refine structures by using the previous cycle’s output as the new cycle’s input. This parameter is set to **auto** by default and accepts integers between 1 and 48.
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.. image:: ../../_static/structure-prediction/ESMFold.png
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:alt: ESMFold
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Using MiniFold
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-------------
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.. image:: ../../_static/structure-prediction/minifold.png
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:alt: MiniFold
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Using RosettaFold-3
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-----------------
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When using RosettaFold-3, you can enter or upload multiple proteins in the input fields provided.
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The **Advanced Options** section contains several parameters:
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- **Diffusion samples** This refers to the number of diffusion samples used and controls how many independent structure samples are generated per input
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- **Number of recycles** This refers to how many times the model feeds its output structure back into the network for further refinement.
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- **Number of Steps** Thisrefers to how many iterations or updates the model performs during inference when predicting a structure
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.. image:: ../../_static/structure-prediction/rosettafold.png
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:alt: RosettaFold-3
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Visualizing your sequence
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--------------------------
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