exalearn / ExaMol / 5626845175

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Add EHVI, our first multi-objective selector (#78)

* Refactor to allow multiple objectives

* Fix import issues for tests

* Use conda versions of Torch

Avoids issues with Torch and xTB using different OpenMP versions

* Refactor such that negation happens in base class

Avoid having to duplicate the "if minimize, negate" logic

* Redo multiobjective test, test for different cases

* Add a wrapper class for EVHI

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