Koki MURAOKA's repositories
airspace-hugo
Airspace Hugo theme for multipurpose use, like Portfolio, Blog, Business.
awesome-python-chemistry
A curated list of Python packages related to chemistry
bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
cif2cell-1
Generating geometries for electronic structure calculations from CIF files.
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
example-python
An example repo to demonstrate Python support in Pants
fireworks
The Fireworks Workflow Management Repo.
hugo-academic
đź“ť The website builder for Hugo. Build and deploy a beautiful website in minutes!
icsd_drone
The drone that parses cif and metadata obtained from ICSD.
matid
MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.
monty
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
parsl
Parsl - a Python parallel scripting library
pip-update-requirements
Update the packages in a requirements.txt file.
pylada-light
A physics computational framework for python and ipython
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
PyTorch-GAN
PyTorch implementations of Generative Adversarial Networks.
xraylarch
Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (XRF) Spectroscopy and Imaging, and more.