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lukasturcani / stk

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
https://stk.readthedocs.io/
MIT License
251 stars 47 forks source link

Fitness functions use MoleculeRecord #498

Closed lukasturcani closed 1 year ago

lukasturcani commented 1 year ago

Related Issues: #473 Requested Reviewers: @andrewtarzia Note for Reviewers: If you accept the review request add a :+1: to this post