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pAPRika v0.1.0

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@slochower slochower released this 27 Jul 18:20
· 392 commits to master since this release
v0.1.0
0bc9776

This release enables paprika to work with propertyestimator of the Open Force Field Toolkit, and taproom to setup host-guest calculations with either GAFF or SMIRNOFF-based force fields using AMBER or OpenMM as simulation backends.

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