diff --git a/pyproject.toml b/pyproject.toml index f2c1c7c..4952425 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,5 +1,5 @@ [build-system] -requires = ["setuptools>=61", "wheel"] +requires = ["setuptools>=82.0.1", "wheel"] build-backend = "setuptools.build_meta" [project] @@ -8,26 +8,26 @@ version = "0.1.0" description = "Cost-aware synthetic active learning pipeline for cheminformatics" requires-python = ">=3.11" dependencies = [ - "chemprop>=2.0,<3.0", - "lightning>=2.0", - "torch>=2.0", - "rdkit>=2023.3", - "pandas>=2.0", - "numpy>=1.25", - "scipy>=1.11", - "click>=8.1", - "pyyaml>=6.0", - "rich>=13.0", - "matplotlib>=3.7", - "Pillow>=9.0", - "plotly>=5.0", - "dash>=2.0", + "chemprop>=2.2.3,<3.0", + "lightning>=2.6.1", + "torch>=2.11.0", + "rdkit>=2026.3.1", + "pandas>=3.0.2", + "numpy>=2.4.4", + "scipy>=1.17.1", + "click>=8.3.2", + "pyyaml>=6.0.3", + "rich>=15.0.0", + "matplotlib>=3.10.8", + "Pillow>=12.2.0", + "plotly>=6.7.0", + "dash>=4.1.0", ] [project.optional-dependencies] dev = [ - "pytest>=7.4", - "pytest-cov>=4.1", + "pytest>=9.0.3", + "pytest-cov>=7.1.0", "ruff", "mypy", "types-PyYAML",