ProtNHF: Neural Hamiltonian Flows for Controllable Protein Sequence Generation

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

Overview

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 Resources

DOE Contract Number

AC05-00OR22725

Originating Research Organization

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

Sponsoring Organization

Office of Science (SC)

Project Identifier

STF006

Details

DOI

10.13139/OLCF/3019470

Release Date

February 27, 2026

Dataset

Dataset Type

AS Animations/Simulations

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.