Automated design of collective variables using supervised machine learning

28 February 2018

Papers citing "Automated design of collective variables using supervised machine learning"

4 / 4 papers shown

Title
Transferring Chemical and Energetic Knowledge Between Molecular Systems with Machine Learning Sajjad Heydari S. Raniolo L. Livi V. Limongelli 27 2 0 06 May 2022
Collective variable discovery in the age of machine learning: reality, hype and everything in between S. Bhakat AI4CE 34 25 0 06 Dec 2021
Chasing Collective Variables using Autoencoders and biased trajectories Zineb Belkacemi P. Gkeka T. Lelièvre G. Stoltz AI4CE 6 60 0 22 Apr 2021
A Perspective on Deep Learning for Molecular Modeling and Simulations Jun Zhang Yao-Kun Lei Zhen Zhang Junhan Chang Maodong Li Xu Han Lijiang Yang Yuqing Yang Y. Gao AI4CE 37 8 0 25 Apr 2020