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56 results in Keywords: Neural Network

Chemistry

Working Paper

Explore the Chemical Space of Linear Alkanes Pyrolysis via Deep Potential Generator

Jinzhe Zeng, Linfeng Zhang, Han Wang, Tong Zhu

Version 1 posted 10 September 2020

1,648

Downloads

Earth and Environmental Sciences

Working Paper

Climate Change and Sustainability

An App for Tree Trunk Diameter Estimation from Coarse Optical Depth Maps

Zhengpeng Feng, Mingyue Xie, Amelia Holcomb, Srinivasan Keshav

Version 3 posted 03 April 2024

657

Downloads

Chemistry

Working Paper

An Efficient Approach for Obtaining Small and Macro-molecular 1H NMR Spectra Based on Neural Network

xiongjie xiao, Qianqian Wang, Xin Chai, Xu Zhang, Bin Jiang, Maili Liu

Version 1 posted 23 January 2024

195

Downloads

Chemistry

Working Paper

Feed Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction

Abbigayle Cuomo, Sebastian Ibarraran, Sanil Sreekumar, Haote Li, Jungmin Eun, Jan Paul Menzel, Pengpeng Zhang, Frederic Buono, Jeff Song, Robert Crabtree, Victor Batista, Timothy Newhouse

Version 1 posted 31 January 2023

415

Downloads

Chemistry

Working Paper

MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning

David Buterez, Jon Paul Janet, Steven J. Kiddle, Pietro Liò

Version 1 posted 14 November 2022

602

Downloads

Chemistry

Working Paper

Towards fully ab initio modeling of soot formation in a nanoreactor

Qingzhao Chu, Chenguang Wang, Dongping Chen

Version 1 posted 03 February 2022

405

Downloads

Chemistry

Working Paper

Ab Initio Molecular Dynamics Simulations of Atmospheric Molecular Clusters Boosted by Neural Networks

Jakub Kubečka, Daniel Ayoubi, Zeyuan Tang, Yosef Knattrup, Morten Engsvang, Haide Wu, Jonas Elm

Version 1 posted 01 July 2024

284

Downloads

Chemistry

Working Paper

Deep-Learning-Enhanced Modeling of Electrosprayed Particle Assembly on Non-spherical Droplet Surfaces

Nasir Amiri, Joseph Prisaznuk, Peter Huang, Paul Chiarot, Xin Yong

Version 2 posted 16 December 2024

199

Downloads

Chemistry

Working Paper

Predicting Poisson's Ratio: A Study of Semi-supervised Anomaly Detection and Supervised Approaches

Raheel Hammad, Sownyak Mondal

Version 2 posted 25 September 2023

300

Downloads

Chemistry

Working Paper

How Sophisticated Are Neural Networks Needed to Predict Long-Term Nonadiabatic Dynamics?

Hao Zeng, Yitian Kou, Xiang Sun

Version 1 posted 20 September 2024

Downloads

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56 results in Neural Network in Keywords: Neural Network

Explore the Chemical Space of Linear Alkanes Pyrolysis via Deep Potential Generator

An App for Tree Trunk Diameter Estimation from Coarse Optical Depth Maps

An Efficient Approach for Obtaining Small and Macro-molecular 1H NMR Spectra Based on Neural Network

Feed Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction

MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning

Towards fully ab initio modeling of soot formation in a nanoreactor

Ab Initio Molecular Dynamics Simulations of Atmospheric Molecular Clusters Boosted by Neural Networks

Deep-Learning-Enhanced Modeling of Electrosprayed Particle Assembly on Non-spherical Droplet Surfaces

Predicting Poisson's Ratio: A Study of Semi-supervised Anomaly Detection and Supervised Approaches

How Sophisticated Are Neural Networks Needed to Predict Long-Term Nonadiabatic Dynamics?

56 results in Keywords: Neural Network