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
Major changes Overhaul of LangevinIntegrator and subclasses to better support nonequilibrium integr...
Allow users to specify options for openmmtools.alchemy.AbsoluteAlchemicalFactory in the YAML file. I...
New datasets and almost fully tested. This release still supports legacy versions of Python (2.7, 3...
First alpha release. Features: Parsers for GROMACS, including reduced potentials and gradients. Sub...
New minor release with fixes to MBAR estimator to align with changes in upstream pymbar version 3.0....
First official release. Features high test and documentation coverage, along with refinements to exi...
The 1.0.0 release of alchemlyb comes with a stable API and multiple enhancements for postprocessing ...
Release with new functionality. Please note that the GitHub Discussions forum is now enabled where y...
Patch-level release with bug-fixes. Note that AutoMBAR is being deprecated and scheduled for removal...
Release with bug fixes and new functionality. Highlights gmx parser now defaults to dropping NaN an...
This is a major new release of alchemlyb. Highlights/Important Changes alchemlyb adopts NEP29 to ...
New functionality (visualisation submodule) and more flexible preprocessors. Last version to officia...
New major release with backwards-incompatible changes. The 2.x releases of alchemlyb are based on py...
New major release with new parsers (Amber, NAMD, GOMC) and bug fixes. For details see the CHANGES. T...
Features added by this release Automatic Alchemical Path Determination (#726) Langevin Splitting In...
Major changes Overhaul of LangevinIntegrator and subclasses to better support nonequilibrium integr...
Allow users to specify options for openmmtools.alchemy.AbsoluteAlchemicalFactory in the YAML file. I...
New datasets and almost fully tested. This release still supports legacy versions of Python (2.7, 3...
First alpha release. Features: Parsers for GROMACS, including reduced potentials and gradients. Sub...
New minor release with fixes to MBAR estimator to align with changes in upstream pymbar version 3.0....
First official release. Features high test and documentation coverage, along with refinements to exi...
The 1.0.0 release of alchemlyb comes with a stable API and multiple enhancements for postprocessing ...
Release with new functionality. Please note that the GitHub Discussions forum is now enabled where y...
Patch-level release with bug-fixes. Note that AutoMBAR is being deprecated and scheduled for removal...
Release with bug fixes and new functionality. Highlights gmx parser now defaults to dropping NaN an...
This is a major new release of alchemlyb. Highlights/Important Changes alchemlyb adopts NEP29 to ...
New functionality (visualisation submodule) and more flexible preprocessors. Last version to officia...
New major release with backwards-incompatible changes. The 2.x releases of alchemlyb are based on py...
New major release with new parsers (Amber, NAMD, GOMC) and bug fixes. For details see the CHANGES. T...
Features added by this release Automatic Alchemical Path Determination (#726) Langevin Splitting In...
Major changes Overhaul of LangevinIntegrator and subclasses to better support nonequilibrium integr...
Allow users to specify options for openmmtools.alchemy.AbsoluteAlchemicalFactory in the YAML file. I...
New datasets and almost fully tested. This release still supports legacy versions of Python (2.7, 3...
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