BFEE-Docking v1.0.4

What's changed

• Include the ACE nonpolar solvation (surface-area) contribution in OpenMM MM-GBSA calculations by setting sasaMethod="ACE".
• Document OpenMM 8.5 or later as the minimum version for the MD workflow.

Installation

Install the platform-specific wheel with pip install bfee-docking==1.0.4 after publication to PyPI.

Full changelog: v1.0.3...v1.0.4