superstar54/xespresso

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License
GNU General Publi...
Created over 4 years ago
Updated over 1 year ago

superstar54/xespresso

superstar54

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Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

weas-widget

A widget to visualize and edit atomic structures in Jupyter Notebook

pyliterature

A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so on.

blase

Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.

xcp2k

xcp2k is an module to combine CP2K into Atomic Simulation Environment (ASE)

x3dase

X3D for Atomic Simulation Environment

aiida-worktree

Ddesign flexible node-based workflows using AiiDA

PyXPS

Python code to analyze x-ray phonons spectroscopy (XPS) by deep learning (DL), including convolutional neural network (CNN) methods.

VCLab

VCLab (Virtual CALPHAD Laboratory), an open-source software for CALPHAD Calculations written in C++.

pyimage

crop, merge and add label to image, which used for scientific journal.