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Computational chemistry

Papers

Showing 71–80 of 122 papers

TitleStatusHype
Combining resampling and reweighting for faithful stochastic optimization—0
Compressive Fourier collocation methods for high-dimensional diffusion equations with periodic boundary conditions—0
Decoding the Molecular Universe -- Workshop Report—0
Deep Learning for Computational Chemistry—0
DeepPCM: Predicting Protein-Ligand Binding using Unsupervised Learned Representations—0
Neural Energy Minimization for Molecular Conformation Optimization—0
NMR Spectroscopy Can Help Accelerate Antiviral Drug Discovery Programs—0
Non-autoregressive electron flow generation for reaction prediction—0
Open-Source Molecular Processing Pipeline for Generating Molecules—0
Physics-Guided Machine Learning for Scientific Discovery: An Application in Simulating Lake Temperature Profiles—0
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