Supervised Learning of a Chemistry Functional with Damped Dispersion

Yiwei Liu; Cheng Zhang; Zhonghua Liu; Donald G Truhlar; Ying Wang; Xiao He

doi:10.5281/zenodo.7306137

Abstract

1 min read

Representative codes for "Supervised Learning of a Chemistry Functional with Damped Dispersion" accepted in Nature Computational Science, 2022. The file includes CF22D code, data, examples and instructions.

Discussion(0)

No comments yet. Be the first to comment.

Related publications

Article2022

Supervised learning of a chemistry functional with damped dispersion

Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G Truhlar, Ying Wang, Xiao He

Article2017

Physical Molecular Mechanics Method for Damped Dispersion

Pragya Verma, Bo Wang, Laura E. Fernandez, Donald G Truhlar

Preprint2020

NeuroVectorizer: end-to-end vectorization with deep reinforcement learning

Ameer Haj-Ali, Nesreen K. Ahmed, Ted Willke, Sophia Shao, Krste Asanović, Ion Stoica

Article2021

Integrated functional neuronal network analysis of 3D silk-collagen scaffold-based mouse cortical culture

Yu‐Ting L. Dingle, Mattia Bonzanni, Volha Liaudanskaya, Thomas J.F. Nieland, David Kaplan

Preprint2019

NeuroVectorizer: End-to-End Vectorization with Deep Reinforcement\n Learning

Ameer Haj-Ali, Nesreen K. Ahmed, Ted Willke, Sophia Shao, Krste Asanović, Ion Stoica