release: create release-0.1.1 branch

Author: github-actions[bot]

CHANGELOG

@@ -1,5 +1,10 @@
 # Changelog
 
+## Release 0.1.1
+
+- Small amount of modifications to README and documentation
+- Adding link to white paper in README
+
 ## Release 0.1.0
 
 - Implemented model architectures: MACE, NequIP and ViSNet

README.md

@@ -146,8 +146,8 @@ Further details can be found in our white paper (see [below](#-citing-our-work))
 **MACE (2,139,152 parameters):**
 | Systems   | JAX + JAX-MD | JAX + ASE    | Torch + ASE  |
 | --------- |-------------:|-------------:|-------------:|
-| 1UAO      | 6.3 ms/step  | 11.6 ms/step | 44.2/step    |
-| 1ABT      | 66.8 ms/step | 99.5 ms/step | 157.2/step   |
+| 1UAO      | 6.3 ms/step  | 11.6 ms/step | 44.2 ms/step |
+| 1ABT      | 66.8 ms/step | 99.5 ms/step | 157.2 ms/step|
 
 **ViSNet (1,137,922 parameters):**
 | Systems   | JAX + JAX-MD | JAX + ASE    | Torch + ASE  |
@@ -169,10 +169,11 @@ Scott Cameron, Louis Robinson, Tom Barrett, and Alex Laterre.
 
 ## 📚 Citing our work
 
-We kindly request to cite our white paper when using this library:
+We kindly request to cite [our white paper](https://arxiv.org/abs/2505.22397)
+when using this library:
 
 C. Brunken, O. Peltre, H. Chomet, L. Walewski, M. McAuliffe, V. Heyraud,
 S. Attias, M. Maarand, Y. Khanfir, E. Toledo, F. Falcioni, M. Bluntzer,
 S. Acosta-Gutiérrez and J. Tilly, *Machine Learning Interatomic Potentials:
 library for efficient training, model development and simulation of molecular systems*,
-available on the arXiv.
+arXiv, 2025, arXiv:2505.22397.

docs/source/conf.py

@@ -7,7 +7,7 @@
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
 
 project = "MLIP"
-copyright = "2024, InstaDeep"  # noqa: A001
+copyright = "2025, InstaDeep"  # noqa: A001
 author = "InstaDeep"
 
 # -- General configuration ---------------------------------------------------

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "mlip"
-version = "0.1.0"
+version = "0.1.1"
 description = "Machine Learning Interatomic Potentials in JAX"
 license = "LICENSE"
 authors = [
@@ -19,6 +19,9 @@ classifiers = [
     "License :: OSI Approved :: Apache Software License",
 ]
 
+[tool.poetry.urls]
+"Homepage" = "https://github.com/instadeepai/mlip/"
+
 [tool.poetry.dependencies]
 python = ">=3.10,<=3.13"
 numpy = "^1.26.0"