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Dependencies
- ase <3.23.0,>=3.22.1
- beautifulsoup4 <5.0.0,>=4.0.0
- cachetools <8.0.0,>=7.0.1
- cloudpickle <=4.0.0,>=3.1.2
- dask <2026.1.3,>=2026.1.2
- distributed <2026.1.3,>=2026.1.2
- django <6.0.0,>=5.2.11
- django-allauth <0.64.0,>=0.63.3
- django-simple-history <3.12.0,>=3.11.0
- ipython <10.0.0,>=8.22.2
- markdown <4.0.0,>=3.4.1
- matminer <0.11.0,>=0.10.0
- numpy <3.0.0,>=2.0.0
- pandas <3.0.0,>=2.0.0
- plotly <7.0.0,>=6.5.0
- psycopg2-binary <3.0.0,>=2.9.11
- pymatgen <2025.10.8,>=2025.10.7
- pymatgen-analysis-diffusion <2025.11.16,>=2025.11.15
- pyyaml <7.0.0,>=6.0.3
- rdkit <2025.9.6,>=2025.9.5
- requests <3.0.0,>=2.32.5
- rich <15.0.0,>=14.3.3
- schedule <2.0.0,>=1.2.2
- scikit-learn <2.0.0,>=1.1.1
- toml <0.11.0,>=0.10.2
- typer <0.25.0,>=0.24.1
- umap-learn <0.6.0,>=0.5.5
- xmltodict <2.0.0,>=1.0.4
24 optional dependencies
- baderkit[baderkit]
- black[dev]
- clease[clease]
- coverage[dev]
- ddgs[chatbot]
- djlint[dev]
- isort[dev]
- jarvis-tools[jarvis]
- langchain[chatbot]
- langchain-community[chatbot]
- langchain-experimental[chatbot]
- langchain-google-genai[chatbot]
- langchain-openai[chatbot]
- mkdocs-material[dev]
- mkdocstrings[dev]
- mkdocstrings-python[dev]
- mp-api[materials-project]
- opencv-python[lab-automation]
- pytest[dev]
- pytest-django[dev]
- pytest-mock[dev]
- pytest-xdist[dev]
- spyder-kernels[dev]
- yfinance[price-catalog]