Pinned Repositories
aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
aiida-workgraph
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
beautiful-atoms
Python module for drawing and rendering beautiful atoms and molecules using Blender.
blase
Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.
pyliterature
A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so on.
weas
WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
weas-widget
A widget to visualize and edit atomic structures in Jupyter Notebook
x3dase
X3D for Atomic Simulation Environment
xcp2k
xcp2k is an module to combine CP2K into Atomic Simulation Environment (ASE)
xespresso
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
superstar54's Repositories
superstar54/pyliterature
A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so on.
superstar54/VCLab
VCLab (Virtual CALPHAD Laboratory), an open-source software for CALPHAD Calculations written in C++.
superstar54/pyimage
crop, merge and add label to image, which used for scientific journal.
superstar54/ASE-Tutorials
Examples of using the Atomic Simulation Environment
superstar54/blender-cli-rendering
Python scripts for rendering images using Blender 2.80+ from command-line interface
superstar54/cropall
Interactive semi-batch image cropper. One click to crop load next.
superstar54/deepchem
Deep-learning models for Drug Discovery and Quantum Chemistry
superstar54/DeepLearningBook
MIT Deep Learning Book in PDF format
superstar54/dft-book
A book on modeling materials using VASP, ase and jasp
superstar54/End-members
calculate the number and permutations of unique end members for sublattice model used in CALPHAD method.
superstar54/pycp2k
Python Cp2k interface
superstar54/pycse
Python computations in science and engineering
superstar54/pythontex
A LaTeX package that allows Python code entered within a TeX document to be executed, and the output to be included in the original document.
superstar54/tensorflow
Computation using data flow graphs for scalable machine learning
superstar54/tflearn
Deep learning library featuring a higher-level API for TensorFlow.
superstar54/x3d_3mf_conversions
Python scripts for X3D to and from 3MF 3D Printing format
superstar54/xaims