Chignolin

Chignolin is a molecular system used to evaluate the performance of sampling methods for Gibbs-type distributions in infinite-dimensional function spaces.

Papers using Chignolin (8)

Functional Adjoint Sampler: Scalable Sampling on Infinite Dimensional Spaces2025Layer-to-Layer Knowledge Mixing in Graph Neural Network for Chemical Property Prediction2025TICA-Based Free Energy Matching for Machine-Learned Molecular Dynamics2025Active Learning for Machine Learning Driven Molecular Dynamics2025A Scalable and Quantum-Accurate Foundation Model for Biomolecular Force Field via Linearly Tensorized Quadrangle Attention2025Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics2023 · 37 citesLong-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation2023 · 6 citesFlow Perturbation to Accelerate Unbiased Sampling of Boltzmann distribution2024