exalearn / ExaMol / 6590698091

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Introduce a "Store" class (#119)

* Introduce a "Store" class

Move towards backends that will store data
on disk rather than in memory

* Make store a context manager

Keeps it very clear that it must be closed

* Implement a "contains" method

* Remove the now-obsolete database writer

The MoleculeStore takes care of its own checkpointing

* Use the MoleculeStore throughout

* Update more tests based with new interface

* Add Store to documentation

* Drop use of mongoengine for pydantic

Mongo engine is slow to parse, and I don't need to do
partial updates on documents

* Update the pyproject file too

* Add test for specs and brute force

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