Pinned Repositories
Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
Export_traj_to_mongo
materials-consortia.github.io
OPTIMADE website
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
mongomock
Small library for mocking pymongo collection objects for testing purposes
OPTIMADE
Specification of a common REST API for access to materials databases
materials-consortia.github.io
OPTIMADE website
OPTIMADE
Specification of a common REST API for access to materials databases
optimade-python-tools
Tools for implementing and consuming OPTIMADE APIs in Python
optimade-validator-action
GitHub Actions action to validate OPTIMADE implementations using the validator from Materials-Consortia/optimade-python-tools
JPBergsma's Repositories
JPBergsma/Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
JPBergsma/Export_traj_to_mongo
JPBergsma/materials-consortia.github.io
OPTIMADE website
JPBergsma/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
JPBergsma/mongomock
Small library for mocking pymongo collection objects for testing purposes
JPBergsma/OPTIMADE
Specification of a common REST API for access to materials databases
JPBergsma/optimade-python-tools
Tools for implementing and consuming OPTIMADE APIs in Python
JPBergsma/optimade-tutorial-exercises
Tutorial exercises for the OPTIMADE API
JPBergsma/providers
This repository hosts the providers.json file for OPTIMADE that lists reserved database-specific prefixes and URLs to the index databases of all database providers that participate in the OPTIMADE network
JPBergsma/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.
JPBergsma/rdkit
The official sources for the RDKit library
JPBergsma/red_sun_over_china
JPBergsma/triplea
TripleA is a turn based strategy game and board game engine, similar to Axis & Allies or Risk.