didactichem 0.1.0__tar.gz

didactichem-0.1.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 Mauricio Bedoya
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

didactichem-0.1.0/MANIFEST.in

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+include LICENSE
+include README.md
+include pyproject.toml
+graft src/didactichem/data
+recursive-exclude * __pycache__
+recursive-exclude * *.py[cod]

didactichem-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: didactichem
+Version: 0.1.0
+Summary: Interactive medicinal chemistry lessons for Jupyter and Google Colab (2D/3D, pKa, prodrugs). Bilingual ES/EN.
+Author: DidactiChem contributors
+License-Expression: MIT
+Project-URL: Homepage, https://github.com/maurobedoya/didactichem
+Project-URL: Issues, https://github.com/maurobedoya/didactichem/issues
+Keywords: medicinal-chemistry,pharmacy,pKa,RDKit,colab,education
+Classifier: Development Status :: 4 - Beta
+Classifier: Intended Audience :: Education
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Framework :: Jupyter
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: rdkit
+Requires-Dist: py3Dmol
+Requires-Dist: ipywidgets
+Requires-Dist: matplotlib
+Requires-Dist: pyyaml
+Requires-Dist: pillow
+Requires-Dist: numpy
+Provides-Extra: dev
+Requires-Dist: pytest; extra == "dev"
+Requires-Dist: ruff; extra == "dev"
+Requires-Dist: build; extra == "dev"
+Requires-Dist: twine; extra == "dev"
+Dynamic: license-file
+
+# DidactiChem
+
+Química farmacéutica interactiva en Jupyter y Colab (2D/3D, pKa, prófármacos). Español por defecto; `dc.set_lang("en")` para inglés.
+
+```bash
+pip install didactichem
+```
+
+```python
+import didactichem as dc
+
+asp = dc.Farmaco("aspirina")
+asp.dibujar_2d()
+asp.ionizacion(pH=7.4)
+asp.animar_proton_2d()
+dc.explorar()
+```

didactichem-0.1.0/README.md

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+# DidactiChem
+
+Química farmacéutica interactiva en Jupyter y Colab (2D/3D, pKa, prófármacos). Español por defecto; `dc.set_lang("en")` para inglés.
+
+```bash
+pip install didactichem
+```
+
+```python
+import didactichem as dc
+
+asp = dc.Farmaco("aspirina")
+asp.dibujar_2d()
+asp.ionizacion(pH=7.4)
+asp.animar_proton_2d()
+dc.explorar()
+```

didactichem-0.1.0/pyproject.toml

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+[project]
+name = "didactichem"
+version = "0.1.0"
+description = "Interactive medicinal chemistry lessons for Jupyter and Google Colab (2D/3D, pKa, prodrugs). Bilingual ES/EN."
+readme = "README.md"
+requires-python = ">=3.10"
+license = "MIT"
+license-files = ["LICENSE"]
+authors = [{ name = "DidactiChem contributors" }]
+keywords = ["medicinal-chemistry", "pharmacy", "pKa", "RDKit", "colab", "education"]
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Education",
+    "Operating System :: OS Independent",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
+    "Topic :: Scientific/Engineering :: Chemistry",
+    "Framework :: Jupyter",
+]
+dependencies = [
+    "rdkit",
+    "py3Dmol",
+    "ipywidgets",
+    "matplotlib",
+    "pyyaml",
+    "pillow",
+    "numpy",
+]
+
+[project.optional-dependencies]
+dev = ["pytest", "ruff", "build", "twine"]
+
+[build-system]
+requires = ["setuptools>=68"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools]
+include-package-data = true
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
+[tool.setuptools.package-data]
+didactichem = ["data/*.yaml"]
+
+[tool.pytest.ini_options]
+testpaths = ["tests"]
+pythonpath = ["src"]
+
+[project.urls]
+Homepage = "https://github.com/maurobedoya/didactichem"
+Issues = "https://github.com/maurobedoya/didactichem/issues"

didactichem-0.1.0/setup.cfg

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+[egg_info]
+tag_build = 
+tag_date = 0
+

didactichem-0.1.0/setup.py

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+from setuptools import setup
+
+setup()

didactichem-0.1.0/src/didactichem/__init__.py

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+"""DidactiChem: bilingual Colab lessons for medicinal / pharmaceutical chemistry."""
+
+from importlib.metadata import PackageNotFoundError, version
+
+try:
+    __version__ = version("didactichem")
+except PackageNotFoundError:
+    __version__ = "0.1.0"
+
+from didactichem.catalog import (
+    list_courses,
+    list_drugs,
+    list_themes,
+    list_topics,
+    listar,
+    listar_cursos,
+    listar_temas,
+    listar_unidades,
+)
+from didactichem.colab import bootstrap
+from didactichem.from_smiles import desde_smiles, from_smiles
+from didactichem.i18n import get_lang, set_lang
+from didactichem.theme import get_theme, set_theme
+from didactichem.molecule import Drug, Farmaco, group, grupo
+from didactichem.pka_refs import list_groups, listar_grupos
+from didactichem.widgets import dibujar_molecula, draw_molecule_editor, explorer, explorar
+
+__all__ = [
+    "__version__",
+    "Drug",
+    "Farmaco",
+    "bootstrap",
+    "desde_smiles",
+    "dibujar_molecula",
+    "draw_molecule_editor",
+    "explorer",
+    "explorar",
+    "from_smiles",
+    "get_lang",
+    "get_theme",
+    "group",
+    "grupo",
+    "list_courses",
+    "list_drugs",
+    "list_groups",
+    "list_themes",
+    "list_topics",
+    "listar",
+    "listar_cursos",
+    "listar_grupos",
+    "listar_temas",
+    "listar_unidades",
+    "set_lang",
+    "set_theme",
+]