v0.18.0 (2025.04.20)¶

Enhancements

added a molecular toolkit, which is a wrapper around rdkit that cleans up the python api
updated Data web pages and UI to be more user friendly
added frontend framework for building dynamic web forms/pages
enabled data management from web ui -- allowing users to create and update a dataset from the ui
added chemdraw support and beta apps for molecular datasets (eMolecules, Enamine, Chemspace, etc)
added Quantum Espresso support
added rdkit-postgres cartridge support
large updates to the BadELF app to support materials with covalent and metallic character

Refactors

django_unicorn dependency was forked and refactored into a custom interal version
REST APIs for data views no longer use django_rest_framework
add the simmate.apps.dev module for early-stage, experimental apps
the database.third_parties module is now moved into individual apps: materials_project, jarvis, aflow, and oqmd

Fixes