content: [build-system]
  requires = ["setuptools >= 77.0.3", "setuptools-scm>=8"]
  build-backend = "setuptools.build_meta"
  
  [project]
  name = "mlconfgen"
  description = "Shape-constrained molecule generation via Equivariant Diffusion and GCN"
  readme = "README.md"
  dynamic = ["version"]
  authors = [
      {name = "Denis Sapegin", email = "dasapegin@gmail.com"},
      {name = "Fedor Bakharev", email = "fbakharev@gmail.com"},
      {name = "Azamat Gafurov", email = "azamat.gafurov@gmail.com"},
  ]
  maintainers = [
      {name = "Denis Sapegin", email = "dasapegin@gmail.com"},
      {name = "Azamat Gafurov", email = "azamat.gafurov@gmail.com"},
  ]
  dependencies = [
      "torch>=2.0.1",
      "rdkit>=2023.9.5",
      "numpy>=1.26.4",
  ]
  requires-python = ">=3.10"
  classifiers = [
      "Development Status :: 3 - Alpha",
      "Programming Language :: Python :: 3",
      "Programming Language :: Python :: 3.10",
      "Programming Language :: Python :: 3.11",
      "Programming Language :: Python :: 3.12",
      "Operating System :: OS Independent",
      "Topic :: Scientific/Engineering :: Chemistry",
  ]
  license = "CC-BY-NC-ND-4.0 AND Apache-2.0"
  license-files = ["LICENSE*"]
  keywords = ["rdkit", "chemistry", "diffusion", "conformers"]
  
  [project.optional-dependencies]
  onnx = [
      "onnx>=1.17.0",
      "onnxruntime>=1.19.0",
      "onnxscript>=0.2.0"
  ]
  
  [project.urls]
  Homepage = "https://github.com/Membrizard/ml_conformer_generator"
  Issues = "https://github.com/Membrizard/ml_conformer_generator/issues"
  
  [tool.setuptools_scm]
  