There are no reviews yet. Be the first to send feedback to the community and the maintainers!
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry PackagesQCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).QCFractal
A distributed compute and database platform for quantum chemistry.QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.QCSchema
A Schema for Quantum ChemistryQCPortal
A client interface to the QCArchive Project (read-only image of QCFractal)covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm StoreMIRP
MolSSI Integral Reference Projecttensor-interfaces
A place to store information for the tensor discussions and possible specifications.QCArchiveExamples
Getting started docs, examples, tutorials, and use cases.mmelemental
Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.mmic_docking
Strategy MMIC for molecular dockingQCArchiveWebsite
The QCArchive landing page.QCEngineRecords
A collection of input and output files for QCEngine parsers.molssi-branding-guidelines
General guidelines for using MolSSI logo, colors, and fonts.MQCAS
History information for the data in the MolSSI QCArchive Server (MQCAS)zenopy
An open-source Python library for Zenodo REST APImolssi-hub
MolSSI Container Hub for Computational Molecular Sciencedash-coreui-components
CoreUI Components for DashEEX
The Energy Expression Exchange for Molecular Dynamics.mmic_autodock_vina
Tactic MMIC for molecular docking using AutoDock VinaQCArchiveDemos
Demo notebooks for QCArchiveQCArchiveInfrastructureWebsite
python_template
Do not use! Use Cookiecutter-CMSQCFractalDashboard
Dashboard for the QCFractal Servermmic
Molecular Mechanics Interoperable Componentskraken
A docker application for molecular librariesQCArchiveWebapps
QCArchive website (production on Azure)mmic_optim_gmx
Tactic MMIC for energy optimization using gmxqcarchive-sphinx-theme
A sphinx theme for all QCArchive documentation.ml_models_deploy
Machine Learning model deploymentmmschema
A specification for particle & molecular mechanicsmmic_openff
Tactic MMIC translator for OpenFF/MMSchemareference_handler
dqm_client
mmic_parmed
Tactic MMIC translator for ParmEd/MMSchemaqikpropservice
cmselemental
Basic models for the Computational Molecular Sciences (CMS)cookiecutter-docker
Cookiecutter template to create a Docker development environment.QCFractalCompute
QCArchive/QCFractal distributed compute workersLove Open Source and this site? Check out how you can help us