Releases: alchemistry/alchemlyb
Releases · alchemistry/alchemlyb
Release 0.1.0
First official release. Features high test and documentation coverage, along with refinements to existing pre-alpha functionality.
Release 0.1.0.a1
First alpha release. Features:
- Parsers for GROMACS, including reduced potentials and gradients.
- Subsampler functions for slicing, statitistical inefficiency, equilibration detection.
- Minimally functional estimators for MBAR, TI.