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feat: add last changes before v0.1.0 release: changelog, version bump, etc. #115

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chrbrunk merged 1 commit into from
Nov 26, 2025
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feat: add last changes before v0.1.0 release: changelog, version bump, etc. #115

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11 changes: 11 additions & 0 deletions CHANGELOG.md
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# Changelog

## Release 0.1.0

- 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.
11 changes: 3 additions & 8 deletions README.md
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[![Tests and Linters](https://github.com/instadeepai/mlipaudit/actions/workflows/tests_and_linters_and_docs_build.yaml/badge.svg?branch=main)](https://github.com/instadeepai/mlipaudit/actions/workflows/tests_and_linters_and_docs_build.yaml)
![badge](https://img.shields.io/endpoint?url=https://gist.githubusercontent.com/mlipbot/e7c79b17c0a9d47bc826100ef880a16f/raw/pytest-coverage-comment.json)

## ⚠️ Disclaimer

This repository is currently in pre-release mode. Official release of v0.1.0 will be
communicated soon.

## 👀 Overview

**MLIPAudit** is a Python library and app for benchmarking and
Expand Down Expand Up @@ -189,9 +184,9 @@ Massimo Bortone, Jack Sawdon, Olivier Peltre and Alex Laterre.

## 📚 Citing our work

We kindly request that you to cite our white paper
We kindly request that you to cite [our white paper](https://arxiv.org/abs/2511.20487)
when using this library:

L. Wehrhan, L. Walewski, M. Bluntzer, H. Chomet, C. Brunken, J.Tilly and
L. Wehrhan, L. Walewski, M. Bluntzer, H. Chomet, J.Tilly, C. Brunken and
S. Acosta-Gutiérrez, *MLIPAudit: A benchmarking tool for Machine
Learned Interatomic Potentials*, soon on arXiv.
Learned Interatomic Potentials*, arXiv, 2025, arXiv:2511.20487.
2 changes: 1 addition & 1 deletion pyproject.toml
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[project]
name = "mlipaudit"
version = "0.0.1a3"
version = "0.1.0"
description = "Library and CLI tool for benchmarking ML Interatomic Potentials"
readme = "README.md"
authors = [
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6 changes: 3 additions & 3 deletions src/mlipaudit/ui/leaderboard.py
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"""
MLIPAudit is a Python tool for benchmarking and validating
Machine Learning Interatomic Potentials (MLIP) models,
specifically those written in mlip-jax. It aims to cover
a wide range of use cases and difficulties, providing users
with a comprehensive overview of the performance of their models.
specifically those based on the [mlip](https://github.com/instadeepai/mlip)
library. It aims to cover a wide range of use cases and difficulties, providing
users with a comprehensive overview of the performance of their models.
"""
)

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