aspuru-guzik-group / dionysus

For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital Discovery: https://pubs.rsc.org/en/content/articlehtml/2023/dd/d2dd00146b
19Updated last year

Alternatives and similar repositories for dionysus:

Users that are interested in dionysus are comparing it to the libraries listed below