invemichele/OPES-flooding

Rare Event Kinetics from Adaptive Bias Enhanced Sampling

OPES-flooding (first draft)

On-the-fly Probability Enhanced Sampling (OPES) for computing rates.

See the following paper https://arxiv.org/abs/2208.04942 and https://www.plumed-nest.org/eggs/22/031 for the final repository with all the input data.