Spaces:
Sleeping
Sleeping
| [project] | |
| name = "schemist" | |
| version = "0.0.1" | |
| authors = [ | |
| { name="Eachan Johnson", email="[email protected]" }, | |
| ] | |
| description = "Organizing and processing tables of chemical structures." | |
| readme = "README.md" | |
| requires-python = ">=3.8" | |
| license = {file = "LICENSE"} | |
| keywords = ["science", "chemistry", "SMILES", "SELFIES", "cheminformatics"] | |
| classifiers = [ | |
| "Development Status :: 3 - Alpha", | |
| # Indicate who your project is intended for | |
| "Intended Audience :: Science/Research", | |
| "Topic :: Scientific/Engineering :: Chemistry", | |
| "License :: OSI Approved :: MIT License", | |
| "Programming Language :: Python :: 3.8", | |
| "Programming Language :: Python :: 3.9", | |
| "Programming Language :: Python :: 3.10", | |
| "Programming Language :: Python :: 3.11", | |
| "Programming Language :: Python :: 3 :: Only", | |
| ] | |
| dependencies = [ | |
| "carabiner-tools[pd]>=0.0.3.post1", | |
| "datamol", | |
| "descriptastorus==2.6.1", | |
| "nemony", | |
| "openpyxl==3.1.0", | |
| "pandas", | |
| "rdkit", | |
| "requests", | |
| "selfies", | |
| ] | |
| [project.urls] | |
| "Homepage" = "https://github.com/scbirlab/schemist" | |
| "Repository" = "https://github.com/scbirlab/schemist.git" | |
| "Bug Tracker" = "https://github.com/scbirlab/schemist/issues" | |
| "Documentation" = "https://readthedocs.org/schemist" | |
| [project.scripts] # Optional | |
| schemist = "schemist.cli:main" | |
| [tool.setuptools] | |
| # If there are data files included in your packages that need to be | |
| # installed, specify them here. | |
| # package-data = {"" = ["*.yml"]} | |
| [build-system] | |
| # These are the assumed default build requirements from pip: | |
| # https://pip.pypa.io/en/stable/reference/pip/#pep-517-and-518-support | |
| requires = ["setuptools>=43.0.0", "wheel"] | |
| build-backend = "setuptools.build_meta" | |