feat: implement host-guest featurizer - Githubissues

kjappelbaum / mofdscribe

An ecosystem for digital reticular chemistry

https://mofdscribe.readthedocs.io/en/latest/

MIT License

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feat: implement host-guest featurizer #405

Closed kjappelbaum closed 1 year ago

kjappelbaum commented 1 year ago

Fixes #403
Also fixes some typing issues
clarifies BU featurizer (fixes #404 )
bugfix: re-implemented binning of APRDF (#407)
feat: implements guest-centered APRDF (#406)