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Attribution
Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation
arXiv 2024
Differentiable Simulations for Enhanced Sampling of Rare Events
arXiv 2023
from 2 papers
Rafael Gómez-Bombarelli
Juno Nam
Lukáš Grajciar
Martin Šípka
Soojung Yang