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0.11.0 Experimental support for espaloma for small molecule parameter generation
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@jchodera jchodera released this 11 Apr 01:09
0.11.0
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This release adds experimental support for generating small molecule parameters with the graph convolutional model espaloma, which must be installed separately to use this capability. This feature is documented in the README.

Bugfixes:

  • Some fixes to GLYCAM support (#180)
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