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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

Combining metrics (i.e. structures that pass multiple criteria) #67

Open sgbaird opened 2 years ago

sgbaird commented 2 years ago

Probably two metrics:

Aside: validity should probably include the "no closer than 5 Angstroms" criteria