superstar54 Goto Github PK

deeplearningbook

MIT Deep Learning Book in PDF format

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dft-book

A book on modeling materials using VASP, ase and jasp

dft-book-espresso

New version of dft-book for Quantum Espresso

end-members

calculate the number and permutations of unique end members for sublattice model used in CALPHAD method.

invenio-communities

Invenio communities module.

learn-docker

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

paperai

AI-powered literature discovery and review engine for medical/scientific papers

pc2-practical-cc

PC-II Praktikum (HS 2020)

pycp2k

Python Cp2k interface

pycse

Python computations in science and engineering

pyimage

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

pyliterature

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

pytest-blender

Pytest plugin for easy addons testing with Blender's Python interpreter.

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.

pyxps

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

qeapp-xps

A plugin for calculating X-ray Photoelectron Spectroscopy (XPS) spectra.

superstar54.github.io

tensorflow

Computation using data flow graphs for scalable machine learning

tflearn

Deep learning library featuring a higher-level API for TensorFlow.

thase

vclab

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

weas-widget

A widget to visualize and edit atomistic structures in Jupyter Notebook

x3d_3mf_conversions

Python scripts for X3D to and from 3MF 3D Printing format

x3dase

X3D for Atomic Simulation Environment

xaims

xcp2k

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

xespresso

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

xps-data