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: This study introduces a new approach to diagnosing Alzheimer’s disease by combining Generative Adversarial Networks (GANs) with Vision Transformers (ViTs) to tackle the common issue of ...
This framework is designed to evaluate the morphology of 3D-printed thermomagnetic heat exchanger components. The 3D extrusion and post heat treatment process may introduce defects that impact heat ...
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