pyproject.toml

[build-system]
requires = ["setuptools>=45", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "drugenv"
version = "0.1.0"
description = "OpenEnv RL environment for teaching LLMs computational drug-target validation"
requires-python = ">=3.10,<3.13"
dependencies = [
    "openenv-core[core]>=0.2.3",
    "numpy>=1.24.0",
    "scipy>=1.10.0",
    "pydantic>=2.0.0",
    "fastapi>=0.110",
    "uvicorn>=0.27",
]

[project.optional-dependencies]
dev = [
    "pytest>=8.0.0",
    "pytest-cov>=4.0.0",
]
train = [
    "torch==2.6.0",
    "torchvision==0.21.0",
    "torchaudio==2.6.0",
    "transformers==4.51.3",
    "trl==0.18.2",
    "peft==0.13.2",
    "accelerate==1.5.0",
    "datasets==3.4.1",
    "bitsandbytes==0.45.5",
    "matplotlib>=3.8",
    "huggingface_hub>=0.26",
]

[project.scripts]
drugenv-server = "server.app:main"

[tool.setuptools]
include-package-data = true
packages = [
    "server",
    "server.simulator",
    "server.rules",
    "server.rewards",
    "server.tasks",
    "server.biology",
    "training",
    "tests",
]

[tool.uv]
package = false