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exaparser

A python package converting materials modeling (eg. DFT) data on disk to a structured representation according to ESSE and ready for indexing and database storage.

express

ExPrESS: Exabyte Property Extractor, Sourcer, Serializer. A python package allowing to extract and standardize materials data from native format for physics-based simulation engines.

fil_backend

FIL backend for the Triton Inference Server

flask-assets-feedstock

A conda-smithy repository for flask-assets.

github-workflows-test-repo

Test repository to figure out some issues with GitHub workflows.

gromacs_signac_template

gsoc

NumFOCUS Google Summer of Code Materials

hdbscan

A high performance implementation of HDBSCAN clustering.

ipyannotator

the infinitely hackable annotation framework

katacoda-scenarios

Katacoda Scenarios

legate.core

The Foundation for All Legate Libraries

marketplace-sdk

Python software development kit for MarketPlace applications.

metadynamics-plugin

Metadynamics plugin for HOOMD-blue

minimal-mistakes

:triangular_ruler: A flexible two-column Jekyll theme. Perfect for personal sites, blogs, and portfolios hosted on GitHub or your own server.

mistune

A fast yet powerful Python Markdown parser with renderers and plugins.

nglview

IPython widget to interactively view molecular structures and trajectories

niggli

notebooks-contrib

RAPIDS Community Notebooks

notes

:pencil: Simple delightful note taking, with more unix and less lock-in.

numpy

Numpy main repository

optimade-python-tools

Tools for implementing and consuming OPTIMADE APIs in Python

pass2bw

Utility to export a pass password store to BitWarden

plumpy

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

probot

🤖 A framework for building GitHub Apps to automate and improve your workflow

pydata-ann-arbor-2018

Slides and notebooks demonstrating signac for PyData Ann Arbor Meetup 2018

python3statement.github.io

quantum-mobile

A Virtual Machine for computational materials science

raft

RAFT contains fundamental widely-used algorithms and primitives for data science, graph and machine learning.

rapids-compose

rmm

RAPIDS Memory Manager