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1. lukasturcani/stk lukasturcani/stk Public

   A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

   Python 252 48

2. JelfsMaterialsGroup/stko JelfsMaterialsGroup/stko Public

   A collection of molecular optimisers and property calculators for use with stk.

   Python 22 8

3. stk-examples stk-examples Public

   Some example usages of stk (and stko, mchammer)

   Jupyter Notebook 4

4. mol-ellipsize mol-ellipsize Public

   Molecular size calculation based on ellipsoid fitting over N conformers

   TeX 13

5. CGExplore CGExplore Public

   A general tool set for working with coarse-grained stk models

   Python 1 1

6. bbprepared bbprepared Public

   Prepare your building blocks for stk construction and analysis

   Python 4