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ProtNHF: Neural Hamiltonian Flows for Controllable Protein Sequence Generation

    Bharath Raghavan | Oak Ridge National Laboratory
    David Rogers | Oak Ridge National Laboratory
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Description

This dataset accompanies the publication "ProtNHF: Neural Hamiltonian Flows for Controllable Protein Sequence Generation". This paper introduces a new AI model for protein sequence generation. This dataset contains data related to experiments discussed in the publication. This includes generated sequences and evaluation metrics supporting all unconditional and bias-controlled experiments in the ProtNHF paper.

Funding Information

DOE Contract Number

AC05-00OR22725

Originating Research Organization

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization

Office of Science (SC)

Related Works

Details

DOI

https://doi.org/10.13139/OLCF/3019470

Release Date

February 27, 2026

Subject

60 APPLIED LIFE SCIENCES

Dataset

Dataset Type

AS Animations/Simulations

Cite This Dataset:

Raghavan, B., Rogers, D. (2026). ProtNHF: Neural Hamiltonian Flows for Controllable Protein Sequence Generation. Oak Ridge National Laboratory. https://doi.org/10.13139/OLCF/3019470.

Acknowledgements

This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Advanced Scientific Computing Research programs in the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.