0.3.0 rc2
Pre-release
Pre-release
Release candidate 2
First release of the thin-CLI architecture (as described in discussion #12).
This release is backwards incompatible to the previous releases (the original plugin-based architecture) as it is a complete rewrite by @xiki-tempula . For the previous code, see release 0.2.0.
Installation
pip install alchemistry-flamel
Highlights
- simple script
flamel
to run alchemlyb.workflows - supports absolute binding free energy (ABFE) workflow