superstar54

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.

xespresso

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

x3dase

X3D for Atomic Simulation Environment

xcp2k

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

PyXPS

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

beautiful-atoms

Python module for drawing and rendering beautiful atoms and molecules using Blender.

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.

aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.

aiida-core

The official repository for the AiiDA code

aiida-registry

Find plugins for AiiDA

aiida-restapi

AiiDA Web API for data queries and workflow management.

aiida-tutorials

AiiDA tutorials web site

blender-cli-rendering

Python scripts for rendering images using Blender 2.80+ from command-line interface

bsc-2021-unibe

BSc Project Ammonolysis

CAD_Sketcher

Constraint-based geometry sketcher for blender

Coursera-Bootstrap-4

Coursera Front-End Web UI Frameworks and Tools: Bootstrap 4

data-resources-for-materials-science

A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.

deepmd-kit

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

dft-book-espresso

New version of dft-book for Quantum Espresso

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)

pytest-blender

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

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