kmu Goto Github PK

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+

cif2cell-1

Generating geometries for electronic structure calculations from CIF files.

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.

deepmd-kit

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

dim_filter

dnawalker

A visualization of "DNA walker"

docs

Materials Project Documentation

emmet

Be a master builder of databases of material properties. Avoid the Kragle.

example-python

An example repo to demonstrate Python support in Pants

fireworks

The Fireworks Workflow Management Repo.

focus_package

FOCUS package including DLS-76 and KRIBER for structure determination of zeolites

graph_id_supp_info

gtm-generativetopographicmapping

GTM (Generative Topographic Mapping)

handbook

Persson Group Handbook

hugo-academic

📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!

icsd-queryer

A python module to query data programmatically from the ICSD.

icsd_drone

The drone that parses cif and metadata obtained from ICSD.

izon

A dependency handling tool for files

jittoku

maggma

MongoDB aggregation machine

mat2vec

Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).

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.