Alanine Dipeptide

The 'Alanine Dipeptide' dataset contains molecular configurations of the alanine dipeptide molecule and is used to evaluate the performance of sampling methods for simulating molecular trajectories in diffusion processes.

Papers using Alanine Dipeptide (3)

Scalable Inference-Time Annealing with Surrogate Likelihood Estimators2026Functional Adjoint Sampler: Scalable Sampling on Infinite Dimensional Spaces2025Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities2025