Pinned Repositories
airspace-hugo
Airspace Hugo theme for multipurpose use, like Portfolio, Blog, Business.
ase-espresso
ase interface for Quantum Espresso
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
automatminer
An automatic engine for predicting materials properties.
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.
check_numeric_filenames
cheese
This script uploads your photo to Google Photo using your PC's camera
cif2cell
cif2cell compatible with Python 3+
kmu's Repositories
kmu/cif2cell
cif2cell compatible with Python 3+
kmu/miraibot
kmu/airspace-hugo
Airspace Hugo theme for multipurpose use, like Portfolio, Blog, Business.
kmu/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
kmu/awesome-python-chemistry
A curated list of Python packages related to chemistry
kmu/bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
kmu/check_numeric_filenames
kmu/cheese
This script uploads your photo to Google Photo using your PC's camera
kmu/cif2cell-1
Generating geometries for electronic structure calculations from CIF files.
kmu/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
kmu/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
kmu/example-python
An example repo to demonstrate Python support in Pants
kmu/fireworks
The Fireworks Workflow Management Repo.
kmu/graph_id_supp_info
kmu/handbook
Persson Group Handbook
kmu/hugo-academic
📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!
kmu/icsd_drone
The drone that parses cif and metadata obtained from ICSD.
kmu/jittoku
kmu/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.
kmu/matminer
data mining for Materials Science
kmu/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.
kmu/parsl
Parsl - a Python parallel scripting library
kmu/pip-update-requirements
Update the packages in a requirements.txt file.
kmu/pylada-light
A physics computational framework for python and ipython
kmu/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.
kmu/PyTorch-GAN
PyTorch implementations of Generative Adversarial Networks.
kmu/rubychem
scripting chemistry intelligence
kmu/testwiki
kmu/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.
kmu/yukata