0.3.0

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

Supported platforms

• Linux, Windows, macOS
• Python 3.8 – 3.11