GenODE-Inference/pyproject.toml at main · pixelhero98/GenODE-Inference · GitHub

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[build-system]
requires = ["setuptools>=77.0.3"]
build-backend = "setuptools.build_meta"

[project]
name = "genode"
version = "1.0.0"
description = "GICO inference-clock optimization for frozen flow-matching backbones."
readme = "README.md"
requires-python = ">=3.11"
license = "MIT"
license-files = ["LICENSE", "LICENSES/*", "THIRD_PARTY_NOTICES.md"]
authors = [{name = "GenODE contributors"}]
keywords = [
  "flow-matching",
  "generative-modeling",
  "GICO",
  "ordinary-differential-equations",
  "schedule-optimization",
]
classifiers = [
  "Development Status :: 4 - Beta",
  "Intended Audience :: Science/Research",
  "Operating System :: OS Independent",
  "Programming Language :: Python :: 3",
  "Programming Language :: Python :: 3 :: Only",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Programming Language :: Python :: 3.13",
  "Topic :: Scientific/Engineering :: Artificial Intelligence",
]
dependencies = [
  "numpy>=1.26",
  "scipy>=1.11",
  "matplotlib>=3.8,<4",
  "torch>=2.2",
]

[project.optional-dependencies]
test = ["pytest>=8,<10", "ruff>=0.12"]
image-supervision = ["lpips==0.1.4", "torchvision>=0.17"]
latent-clock = ["botorch>=0.16,<0.17"]

[project.scripts]
genode-run-schedules = "genode.evaluation.diffusion_flow_time_reparameterization:main"
genode-run-full-pipeline = "genode.pipeline.full_pipeline:main"
genode-train-backbone = "genode.training.train_backbone:main"
genode-prepare-molecule-xyz = "genode.data.prepare_molecule_xyz:main"
genode-train-molecule-backbone = "genode.training.train_molecule_backbone:main"
genode-evaluate-molecule-backbone = "genode.evaluation.molecule_metrics:main"
genode-collect-gico = "genode.gico.collection:main"
genode-train-gico = "genode.gico.train_gico:main"
genode-preflight-gico-rows = "genode.gico.preflight:main"
genode-report-gico-locked-test = "genode.gico.report_locked_test:main"
genode-evaluate-schedule-summary = "genode.gico.evaluate_schedule_summary:main"
genode-image-gico = "genode.gico.image_cli:main"
genode-latent-clock = "genode.latent_clock.cli:main"

[tool.setuptools.packages.find]
where = ["src"]
include = ["genode*"]
namespaces = false

[tool.ruff]
line-length = 120
target-version = "py311"

[tool.ruff.lint]
select = ["E4", "E7", "E9", "F", "I", "B", "C4", "SIM", "UP"]