pyproject.toml

[tool.poetry]
name = "litgnn"
version = "0.1.0"
description = "A package for experimenting with GNN models."
authors = ["Devansh Amin <devanshamin97@gmail.com>"]
readme = "README.md"
repository = "https://github.com/devanshamin/LitGNN"

[tool.poetry.dependencies]
python = ">=3.9,<3.12"
pandas = "*"
requests = "*"
tqdm = "*"
rich = "*"
click = "^8.1.7"
rdkit = "^2023.9.5"
pydantic = "^2.6.4"
wandb = "^0.16.6"
python-dotenv = "^1.0.1"
pytorch-lightning = "^2.2.1"
torchmetrics = "^0.11.4"
hydra-core = "^1.3.2"
hydra-optuna-sweeper = "^1.2.0"
hydra-joblib-launcher = { version = "^1.2.0", optional = true }
hydra-ray-launcher = { version = "^1.2.1", optional = true }
# `hydra-core` v1.3.2 uses `optuna` v2.10.1
# `optuna` v2.10.1 causes version error when using sqlite storage (https://github.com/optuna/optuna/issues/4375)
# Solution is to downgrade the `SQLAlchemy` to v1.4.46
# There is open PR (https://github.com/facebookresearch/hydra/pull/2360) that bumps optuna to v3.0.0
SQLAlchemy="1.4.46"

[tool.poetry.dev-dependencies]
ruff = "^0.4.9"
pre-commit = "^3.7.1"
pytest = "^8.2.2"

[tool.poetry.extras]
hydra_launchers = [
    "hydra-joblib-launcher",
    "hydra-ray-launcher"
]

[tool.ruff]
line-length = 120

[tool.ruff.lint]
ignore = [
    "E731",  # Do not assign a lambda expression, use a def
]

[build-system]
requires = ["poetry-core"]
build-backend = "poetry.core.masonry.api"