v0.1.4

What's Changed

• fix: nci ui by @lwehrhan in #144
• chore: add Apache-2.0 LICENSE and bump version to 0.1.4 by @lwalew in #143

Full Changelog: v0.1.3...v0.1.4

v0.1.3

What's Changed

• ci: pin third-party actions to commit SHAs so workflow can start by @lwalew in #130
• ci: enforce develop-only PRs into main and update PR template by @lwalew in #128
• ci: add Claude Code Action workflows for reviews and @claude mentions by @lwalew in #129
• feat: pass charge and multiplicity to models by @lwehrhan in #127
• feat: all neutral protein systems for scaling benchmark by @lwehrhan in #135
• feat: update mlipaudit for mlip 0.2.0 (deps, cuda extra, esen) by @lwalew in #138

Full Changelog: v0.1.2...v0.1.3

v0.1.2

What's Changed

• chore: move magic number by @lwalew in #119
• chore: update ci docker images to slim from slim-bullseye by @lwalew in #120
• ci: run on develop by @lwalew in #121
• fix: add missing continue to ScalingBenchmark by @lwalew in #125
• feat: load models without stress by @lwalew in #124
• feat: release 0.1.2 by @lwalew in #126

Full Changelog: v0.1.1...v0.1.2

v0.1.1

Includes the change:

• Fixing bug in the Reactivity UI page with the incorrect data being displayed in the summary statistics table.

v0.1.0

Initial release with the following features:

• Adding benchmark implementations for 15 benchmarks.
• Adding CLI tool that can (a) run benchmarks and (b) display a GUI for visualization of benchmark results.
• Adding code for public leaderboard page only displayed on the HuggingFace leaderboard of MLIP models.
• Adding extensive code documentation with tutorials.
• Adding extensive unit test coverage.