0.8.2 Bugfix release For the complete release notes, please see our documentation PR #786: Fixes Issue #785 where RDKitToolkitWrapper would sometimes expect stereochemistry to be defined for non-stereogenic bonds when loading from SDF. PR #786: Fixes an issue where using the Molecule copy constructor (newmol = Molecule(oldmol)) would result in the copy sharing the same .properties dict as the original (as in, changes to the .properties dict of the copy would be reflected in the original). PR #789: Fixes a regression noted in Issue #788 where creating vdWHandler.vdWType or setting sigma or rmin_half using quantities represented as strings resulted in an error. For help getting the OpenFF Toolkit running, see our installation instructions. ...
0.13.0 Minor feature and bugfix release This release adds Topology.from_pdb, which can load PDB file...
0.5.1 This release contains a new notebook example,check_parameter_coverage.ipynb, which loads sets ...
This version: Finishes migration of many tools from smarty to openforcefield Removes outdated examp...
0.10.4 Bugfix release Critical bugfixes PR #1242: Fixess Issue #837. If OpenEye Toolkits are availa...
0.4.1 This update fixes several toolkit bugs that have been reported by the community. Details of th...
0.8.3 Major bugfix release This release fixes a critical bug in van der Waals parameter assignment. ...
0.7.1 This is the first of our patch releases on our new planned monthly release schedule. Detailed ...
0.8.4 Minor feature and bugfix release For the complete release notes, please see our documentation ...
0.7.2 This minor release is intended to provide timely access to recent minor features and bugfixes....
0.11.2 Bugfix release For the complete release notes, please see our documentation For help getting ...
0.13.2 Minor feature and bugfix release For the complete release notes, please see our documentation...
0.10.0 Improvements for force field fitting For the complete release notes, please see our documenta...
0.10.2 Bugfix release For the complete release notes, please see our documentation For help getting ...
0.3.0 This release makes several improvements and changes to public API. User feedback indicated a n...
0.9.2 Minor feature and bugfix release For the complete release notes, please see our documentation ...
0.13.0 Minor feature and bugfix release This release adds Topology.from_pdb, which can load PDB file...
0.5.1 This release contains a new notebook example,check_parameter_coverage.ipynb, which loads sets ...
This version: Finishes migration of many tools from smarty to openforcefield Removes outdated examp...
0.10.4 Bugfix release Critical bugfixes PR #1242: Fixess Issue #837. If OpenEye Toolkits are availa...
0.4.1 This update fixes several toolkit bugs that have been reported by the community. Details of th...
0.8.3 Major bugfix release This release fixes a critical bug in van der Waals parameter assignment. ...
0.7.1 This is the first of our patch releases on our new planned monthly release schedule. Detailed ...
0.8.4 Minor feature and bugfix release For the complete release notes, please see our documentation ...
0.7.2 This minor release is intended to provide timely access to recent minor features and bugfixes....
0.11.2 Bugfix release For the complete release notes, please see our documentation For help getting ...
0.13.2 Minor feature and bugfix release For the complete release notes, please see our documentation...
0.10.0 Improvements for force field fitting For the complete release notes, please see our documenta...
0.10.2 Bugfix release For the complete release notes, please see our documentation For help getting ...
0.3.0 This release makes several improvements and changes to public API. User feedback indicated a n...
0.9.2 Minor feature and bugfix release For the complete release notes, please see our documentation ...
0.13.0 Minor feature and bugfix release This release adds Topology.from_pdb, which can load PDB file...
0.5.1 This release contains a new notebook example,check_parameter_coverage.ipynb, which loads sets ...
This version: Finishes migration of many tools from smarty to openforcefield Removes outdated examp...