abdev-benchmark/pixi.toml at main · apathithyan/abdev-benchmark · GitHub

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[workspace]
name = "abdev-benchmark"
version = "0.1.0"
description = "Antibody Developability Benchmark - Main orchestration environment"
channels = ["conda-forge"]
platforms = ["linux-64", "osx-64", "osx-arm64"]

[dependencies]
python = "3.11.*"
numpy = ">=1.24"
pandas = ">=2.0"
scipy = ">=1.10"
scikit-learn = ">=1.3"
typer = ">=0.9"
rich = ">=13.0"
toml = ">=0.10"

[pypi-dependencies]
abdev-core = { path = "libs/abdev_core", editable = true }

[tasks]
# Main orchestration commands
all = "python run_all_models.py"
all-skip-train = "python run_all_models.py --skip-train"
all-skip-eval = "python run_all_models.py --skip-eval"
display-evals = "python run_all_models.py --display-only"

[environments]
default = []
dev = ["dev"]

[feature.dev.dependencies]
pytest = ">=7.0"
ruff = ">=0.1"
ipython = ">=8.0"

[feature.dev.tasks]
# Testing tasks (require dev environment)
test-contract = "python tests/test_baseline_contract.py"