Create tests and docs for protein-ligand graphs

DeepRank / deeprank2

An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.

Apache License 2.0

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Open gcroci2 opened 9 months ago

gcroci2 commented 9 months ago

Find a test file that contains none-residue atom entries. There might be one or more already in the current test files.
Include these in current tests.
Verify that the documentation is updated for the new feature.

Blocked by #544