pyproject.toml

[tool.poetry]
name = "folding"
version = "2.3.4"
description = "Macrocosmos Subnet 25: Folding"
authors = ["Brian McCrindle <brian@macrocosmos.ai>", "Sergio Champoux <sergio@macrocosmos.ai>", "Szymon Fonau <szymon.fonau@macrocosmos.ai>"]

[tool.poetry.dependencies]
python = ">=3.11,<3.13"
torch = "^2.3.0"
loguru = "0.7.2"
pandas = "*"
bittensor = "9.0.0"
tenacity = "9.0.0"
python-dotenv = "1.0.1"
wandb = "0.17.2"
eth-utils = "2.1.1"
parmed = "4.2.2"
plotly = "5.22.0"
kaleido = "0.2.1"
async-timeout = "4.0.3"
pdbfixer = { git = "https://github.com/macrocosm-os/pdbfixer.git", branch = "master" }
ipykernel = "^6.29.5"
tqdm = "^4.67.0"
openmm = {extras = ["cuda12"], version = "^8.2.0"}
openmm-cuda-12 = "^8.2.0"
atom = { git = "https://github.com/macrocosm-os/atom.git", branch = "main" }
requests = "^2.32.3"
boto3 = "^1.35.95"
pytest-mock = "^3.14.0"
gjp-models = "^0.1.10"

[tool.poetry.group.api]
optional = true

[tool.poetry.group.api.dependencies]
fastapi = "^0.110.0"
uvicorn = "^0.27.1"
structlog = "^24.1.0"
slowapi = "^0.1.9"
prometheus-fastapi-instrumentator = "^6.1.0"

[build-system]
requires = ["poetry-core>=1.0.0"]
build-backend = "poetry.core.masonry.api"