igloo/pyproject.toml at main · prescient-design/igloo · GitHub

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[project]
name = "prescient-igloo"
description = "Tokenizing Loops of Antibodies (arXiv:2509.08707)"
authors = [{name = "Prescient Design"}]
dynamic = ["version", "readme"]
requires-python = ">=3.10"
dependencies = [
    "torch==2.7.1",
    "vector-quantize-pytorch==1.22.16",
    "numpy==1.26.4",
    "pandas==2.3.0",
    "scipy==1.15.2",
    "scikit-learn==1.7.0",
    "biotite>=0.41.2",
    "seaborn==0.13.2",
    "faiss-cpu==1.9.0",
    "logomaker==0.8.7",
    "dtaidistance==2.3.13",
    "fastparquet==2024.11.0",
    "h5py",
    "tqdm",
    "matplotlib",
    "umap-learn",
    "wandb",
    "transformers==4.53.0",
    "datasets",
    "accelerate",
    "einx",
    "pyarrow",
    "multiprocess",
    "httpx",
    "pdbfixer",
    "prescient-ibex",
]

[tool.setuptools]
packages = ["igloo", "igloo.plm"]
package-dir = { "igloo" = "model", "igloo.plm" = "finetune_igbert" }

[tool.setuptools.dynamic]
readme = {file = "README.md", content-type = "text/markdown"}

[build-system]
requires = ["setuptools >= 65", "setuptools_scm[toml]>=6.2"]
build-backend = 'setuptools.build_meta'

[dependency-groups]
dev = [
    "coverage[toml]>=7.8.0",
    "ipykernel>=6.29.5",
    "ipython>=8.35.0",
    "pip>=25.0.1",
    "pre-commit>=4.2.0",
    "pytest>=8.3.5",
    "ruff>=0.11.5",
]

[tool.setuptools_scm]
search_parent_directories = true
version_scheme = "no-guess-dev"
local_scheme = "node-and-date"
fallback_version = "0.0.1"

[tool.uv.sources]
pdbfixer = { git = "https://github.com/openmm/pdbfixer.git" }