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General Science

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Why good generative models categorize?

Serge Dolgikh

Version 1 posted 20 January 2021

116

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Chemistry

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Machine Learning Accelerates the Discovery of Design Rules and Exceptions in Stable Metal-Oxo Intermediate Formation

Aditya Nandy, Jiazhou Zhu, Jon Paul Janet, Chenru Duan, Rachel Getman, Heather Kulik

Version 1 posted 28 May 2019

800

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1

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Chemistry

Working Paper

Seeing is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

Michael Taylor, Tzuhsiung Yang, Sean Lin, Aditya Nandy, Jon Paul Janet, Chenru Duan, Heather Kulik

Version 1 posted 21 February 2020

746

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Chemistry

Working Paper

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

Sabrina Jaeger, Simone Fulle, Samo Turk

Version 1 posted 23 October 2017

4,498

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2

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Chemistry

Working Paper

HF trimer: A new full-dimensional potential energy surface and rigorous 12D quantum calculations of vibrational states

Jia Li, Patricia Vindel Zandbergen, Jun Li, Peter Felker, Zlatko Bacic

Version 1 posted 04 June 2024

61

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Computer Science

Protocol/Methodology

A New Method terms of Cyber Security: Fight, Flight, Freeze Effect

Özgecan Siyez

Version 1 posted 11 May 2024

3

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Chemistry

Working Paper

Natural Product Scores and Fingerprints Extracted from Artificial Neural Networks.

Janosch Menke, Joana Massa, Oliver Koch

Version 2 posted 26 July 2021

379

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Chemistry

Working Paper

Accelerated Modeling of Lithium Diffusion in Solid State Electrolytes Using Artificial Neural Networks

Karun Kumar Rao, Yan Yao, Lars Grabow

Version 1 posted 07 May 2020

846

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Chemistry

Working Paper

Artificial Neural Network to Predict Structure-based Protein-protein Free Energy of Binding from Rosetta-calculated Properties

Matheus Ferraz, José Neto, Roberto Lins, Erico Teixeira

Version 1 posted 09 August 2022

701

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Chemistry

Working Paper

Kinetics-Constrained Neural Ordinary Differential Equations: Artificial Neural Network Models tailored for Small Data to boost Kinetic Model Development

Aleksandr Fedorov, Anna Perechodjuk, David Linke

Version 1 posted 15 May 2023

777

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15 results in Artificial neural networks in Keywords: Artificial neural networks

Why good generative models categorize?

Machine Learning Accelerates the Discovery of Design Rules and Exceptions in Stable Metal-Oxo Intermediate Formation

Seeing is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

HF trimer: A new full-dimensional potential energy surface and rigorous 12D quantum calculations of vibrational states

A New Method terms of Cyber Security: Fight, Flight, Freeze Effect

Natural Product Scores and Fingerprints Extracted from Artificial Neural Networks.

Accelerated Modeling of Lithium Diffusion in Solid State Electrolytes Using Artificial Neural Networks

Artificial Neural Network to Predict Structure-based Protein-protein Free Energy of Binding from Rosetta-calculated Properties

Kinetics-Constrained Neural Ordinary Differential Equations: Artificial Neural Network Models tailored for Small Data to boost Kinetic Model Development

15 results in Keywords: Artificial neural networks