FMOkit is a command-line toolkit written in Python for both preprocessing and postprocessing of Fragment Molecular Orbital(FMO) calculations. Generates GAMESS input files for FMO calculations from the ...
Abstract: Ensuring the quality and reliability of multimodal video data is critical for applications that rely on accurate interpretation, such as medical imaging, surveillance, remote sensing and ...
This repository contains code for the paper: "Enabling Local Neural Operators to perform Equation-Free System-Level Analysis" G. Fabiani, H. Vandecasteele, S. Goswami, C. Siettos, I.G. Kevrekidis ...
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