globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
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Stream generated ligands back to Thinker #54

Closed WardLT closed 8 months ago

WardLT commented 8 months ago

Returns the generated ligands in small batches rather than all at once so that we can generate new MOFs sooner.

coveralls commented 8 months ago

Pull Request Test Coverage Report for Build 8284456839

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

Details


Totals Coverage Status
Change from base Build 8114677821: 0.0%
Covered Lines: 4063
Relevant Lines: 9858

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