Publication date
May 2017
DOIAbstract
First official release. Features high test and documentation coverage, along with refinements to existing pre-alpha functionality
First official release. Features high test and documentation coverage, along with refinements to existing pre-alpha functionality
Changes new AMBER test files for invalid inputs reorganized AMBER test files This is release candi...
Following a successful in-house trial of Alchex, the pre-alpha release makes code available to the p...
New major release with backwards-incompatible changes. The 2.x releases of alchemlyb are based on py...
First official release. Features high test and documentation coverage, along with refinements to exi...
New major release with new parsers (Amber, NAMD, GOMC) and bug fixes. For details see the CHANGES. T...
Fixes for bugs and documentation (see CHANGES). Includes an update to the mission (see Discussion #1...
New functionality (visualisation submodule) and more flexible preprocessors. Last version to officia...
New minor release with fixes to MBAR estimator to align with changes in upstream pymbar version 3.0....
Patch release to fix online documentation; no functional changes compared to 0.4.1
Release with new functionality. Please note that the GitHub Discussions forum is now enabled where y...
The 1.0.0 release of alchemlyb comes with a stable API and multiple enhancements for postprocessing ...
First alpha release. Features: Parsers for GROMACS, including reduced potentials and gradients. Sub...
Our latest release with many feature enhancements, bug fixes, and other things as we move toward a 2...
This is the first official release of hplc-py with a version 0.1.0! This is a stable release that ha...
New datasets and almost fully tested. This release still supports legacy versions of Python (2.7, 3...
Changes new AMBER test files for invalid inputs reorganized AMBER test files This is release candi...
Following a successful in-house trial of Alchex, the pre-alpha release makes code available to the p...
New major release with backwards-incompatible changes. The 2.x releases of alchemlyb are based on py...
First official release. Features high test and documentation coverage, along with refinements to exi...
New major release with new parsers (Amber, NAMD, GOMC) and bug fixes. For details see the CHANGES. T...
Fixes for bugs and documentation (see CHANGES). Includes an update to the mission (see Discussion #1...
New functionality (visualisation submodule) and more flexible preprocessors. Last version to officia...
New minor release with fixes to MBAR estimator to align with changes in upstream pymbar version 3.0....
Patch release to fix online documentation; no functional changes compared to 0.4.1
Release with new functionality. Please note that the GitHub Discussions forum is now enabled where y...
The 1.0.0 release of alchemlyb comes with a stable API and multiple enhancements for postprocessing ...
First alpha release. Features: Parsers for GROMACS, including reduced potentials and gradients. Sub...
Our latest release with many feature enhancements, bug fixes, and other things as we move toward a 2...
This is the first official release of hplc-py with a version 0.1.0! This is a stable release that ha...
New datasets and almost fully tested. This release still supports legacy versions of Python (2.7, 3...
Changes new AMBER test files for invalid inputs reorganized AMBER test files This is release candi...
Following a successful in-house trial of Alchex, the pre-alpha release makes code available to the p...
New major release with backwards-incompatible changes. The 2.x releases of alchemlyb are based on py...
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