Last released Jul 29, 2021
Ellipsoid fitting over conformer ensembles for calculating size.
Last released Jul 13, 2021
Contains molecular optimizers and property calculators for use with stk.
Last released Jun 29, 2021
Contains MC algorithm for generating host-guest conformers.
Last released Jun 9, 2021
Contains MC algorithm for optimising molecules.
Last released Oct 22, 2019
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