IntFold: A Controllable Foundation Model for General and Specialized
  Biomolecular Structure Prediction
We introduce IntFold, a controllable foundation model for both general and
specialized biomolecular structure prediction. IntFold demonstrates predictive
accuracy comparable to the state-of-the-art AlphaFold3, while utilizing a
superior customized attention kernel. Beyond standard structure prediction,
IntFold can be adapted to predict allosteric states, constrained structures,
and binding affinity through the use of individual adapters. Furthermore, we
introduce a novel confidence head to estimate docking quality, offering a more
nuanced assessment for challenging targets such as antibody-antigen complexes.
Finally, we share insights gained during the training process of this
computationally intensive model.
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The IntFold Team
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Leon Qiao
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Wayne Bai
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He Yan
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Gary Liu
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2025-07-04T07:49:15.140Z
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Liu
user
FuxuLiu
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Nova Xi
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Xiang Zhang
IntFold: A Controllable Foundation Model for General and Specialized
  Biomolecular Structure Prediction
We introduce IntFold, a controllable foundation model for both general and
specialized biomolecular structure prediction. IntFold demonstrates predictive
accuracy comparable to the state-of-the-art AlphaFold3, while utilizing a
superior customized attention kernel. Beyond standard structure prediction,
IntFold can be adapted to predict allosteric states, constrained structures,
and binding affinity through the use of individual adapters. Furthermore, we
introduce a novel confidence head to estimate docking quality, offering a more
nuanced assessment for challenging targets such as antibody-antigen complexes.
Finally, we share insights gained during the training process of this
computationally intensive model.
IntFold, a foundation model with a customized attention kernel, achieves accuracy comparable to AlphaFold3 and can predict various biomolecular structures and binding affinities using adapters and a confidence head for docking quality.
controllable foundation model biomolecular structure prediction AlphaFold3 customized attention kernel allosteric states constrained structures binding affinity adapters confidence head docking quality