PymolFold integrates advanced API-driven methods for protein structure prediction, suggesting easier access for scientists.
Deep learning has transformed protein structure prediction, yet many experimental scientists face barriers in accessing state-of-the-art (SOTA) models due to technical complexity and hardware requirements. To address this, we present PymolFold, an open-source PyMOL plugin that seamlessly integrates cutting edge API-based protein structure predictors such as ESM-3 and Boltz2 into the molecular visualization environment. PymolFold supports both graphical and command-line interfaces for flexible usage and incorporates PXMeter, an open-source Python package for quantitative evaluation of protein structure predictions against reference data. Together, these features establish a unified predict-visualize-analyze workflow, lowering technical entry barriers and broadening access to advanced structural modeling. PymolFold is freely available at https://github.com/jinyuansun/PymolFold.
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Deng et al. (2025) studied this question.
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