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sparks-baird / matbench-genmetrics

Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
https://matbench-genmetrics.readthedocs.io/
MIT License
34 stars 2 forks source link

Replace nested for loop with scipy's cdist or equivalent #23

Closed sgbaird closed 2 years ago

sgbaird commented 2 years ago

https://github.com/sparks-baird/matbench-genmetrics/issues/21

sgbaird commented 2 years ago

cdist requires vectors as inputs. Can't take arbitrary objects.