content: [build-system]
  requires = ["setuptools", "setuptools-scm"]
  build-backend = "setuptools.build_meta"
  
  [project]
  name = "chemnlp"
  description = "Open source chemistry dataset & LLM"
  readme = "README.md"
  requires-python = "==3.9.*"
  dependencies = ["pandas", "pydantic", "pydantic_yaml<=0.11.2", "fire", "loguru"]
  dynamic = ["version"]
  
  [project.optional-dependencies]
  dev = ["pre-commit", "pytest"]
  dataset_creation = [
    "PyTDC",
    "rdkit",
    "ruamel.yaml",
    "selfies",
    "deepsmiles",
    "pubchempy",
    "bioc",
    "pylatexenc",
    "canonicalize_psmiles@git+https://github.com/Ramprasad-Group/canonicalize_psmiles.git",
    "rxn-chem-utils",
    "backoff",
    "givemeconformer",
    "chembl_webresource_client",
    "dask",
    "pandarallel"
  ]
  
  [project.scripts]
  chemnlp-generate-meta = "chemnlp.data.meta_yaml_generator:cli"
  chemnlp-augment-meta = "chemnlp.data.meta_yaml_augmenter:cli"
  chemnlp-sample = "chemnlp.data.sampler_cli:cli"
  chemnlp-add-random-split-column = "chemnlp.data.utils:add_random_split_column_cli"
  chemnlp-concatenate-jsonl = "chemnlp.data.utils:concatenate_jsonl_files_cli"
  
  [tool.setuptools_scm]
  version_scheme = "post-release"
  