Macs in Chemistry

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Open Force Field Toolkit update

 

The Open Force Field Consortium is an industry-funded effort to develop small molecule force fields.

0.4.1 - Bugfix Release This update fixes several toolkit bugs that have been reported by the community. Details of these bugfixes are provided here. It also refactors how ParameterType and ParameterHandler store their attributes, by introducing ParameterAttribute and IndexedParameterAttribute. These new attribute-handling classes provide a consistent backend which should simplify manipulation of parameters and implementation of new handlers.


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