exalearn / ExaMol / 6577005398

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Refactor specifications and thinkers (#118)

* Skip slow tests by default

* Refactored to introduce "Solution" class

* Add some missing source classes

* Pull ML parts out of MolecularThinker

* Moved simulation components to base thinker

* Pass solution spec to base class

Preparation for moving the startup

* Move init database size from starter to solution spec

It wasn't used in the starter, so didn't make sense there

* Use conda all the time

* Add a baseline, brute-force thinker

* Update documentation

* Switch to using miniforge

Thanks to conda-incubator/setup-miniconda#297

281 of 281 new or added lines in 8 files covered. (100.0%)

1855 of 1892 relevant lines covered (98.04%)

0.98 hits per line