This repostiory tracks the status of the core pieces of infrastructure built, maintained and heavily used by the Open Force Field consortium.
* will create OpenFF fork when development is needed
Package | Open issues | Open pull requests |
---|---|---|
OpenFF Toolkit | ||
Interchange | ||
OpenFF Evaluator | ||
OpenFF BespokeFit | ||
OpenFF QCSubmit |
CMILES
: As of May 2021 all functionality in CMILES is available elsewhere and it is no longer actively maintained.OpenFF CLI
: This project stalled in an experimental phase. A CLI produced by OpenFF may be avaible in the future.
Note: This repository was previously planned to be used as a 'metapackage' to facilitate importing all packages built by the consortium under a single umbrella. This is no longer the case as the built-in python namespaces will be used instead. The commit history for this repository as a 'metapackage' is stored at commit 3ada687.
Copyright (c) 2020, Open Force Field Initiative
Project based on the Computational Molecular Science Python Cookiecutter version 1.2.