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Dependencies
- alembic >=1.13.0
- aniso8601 >=9.0.0
- biopython >=1.79
- biotite >=1.0.0
- biotraj >=1.2.0
- blinker >=1.8.0
- blosum >=2.0.0
- brotli >=1.0.0
- cachetools >=5.5.0
- certifi >=2024.8.0
- charset-normalizer >=3.3.0
- click >=8.0.0
- cloudpickle >=3.0.0
- contourpy >=1.3.0
- cycler >=0.12.0
- databricks-sdk >=0.32.0
- deprecated >=1.2.0
- docker >=7.0.0
- fair-esm >=2.0.0
- fasteners >=0.19.0
- filelock >=3.13.0
- flask >=3.0.0
- fonttools >=4.53.0
- gitdb >=4.0.0
- gitpython >=3.1.0
- gmpy2
- google-auth >=2.34.0
- graphene >=3.3.0
- graphql-core >=3.2.0
- graphql-relay >=3.2.0
- greenlet >=3.1.0
- griddataformats >=1.0.0
- gunicorn >=23.0.0
- idna >=3.10.0
- importlib-metadata >=8.4.0
- itsdangerous >=2.2.0
- jinja2 >=3.1.0
- joblib >=1.1.0
- kiwisolver >=1.4.0
- lmdb >=1.5.0
- mako >=1.3.0
- markdown >=3.7.0
- markupsafe >=2.1.0
- matplotlib >=3.3.0
- mdanalysis >=2.0.0
- mda-xdrlib >=0.2.0
- mlflow >=2.0.0
- mlflow-skinny >=2.16.0
- mmtf-python >=1.1.0
- mpmath >=1.3.0
- mrcfile >=1.5.0
- msgpack >=1.1.0
- networkx >=3.0.0
- numpy >=1.21.0
- opentelemetry-api >=1.27.0
- opentelemetry-sdk >=1.27.0
- opentelemetry-semantic-conventions >=0.48b0
- packaging >=24.1.0
- pandas >=1.3.0
- pdb-tools >=2.5.0
- pillow >=10.4.0
- protobuf >=3.19.0
- pyarrow >=7.0.0
- pyasn1 >=0.6.0
- pyasn1-modules >=0.4.0
- pyparsing >=3.1.0
- pysocks >=1.7.0
- python-dateutil >=2.9.0
- pytz >=2024.2
- pyyaml >=6.0
- requests >=2.25.0
- rsa >=4.9.0
- scikit-learn >=1.0.0
- scipy >=1.7.0
- seaborn >=0.11.0
- sequence-models >=1.8.0
- six >=1.16.0
- smmap >=5.0.0
- sqlalchemy >=2.0.0
- sqlparse >=0.5.0
- sympy >=1.13.0
- threadpoolctl >=3.5.0
- torch >=1.9.0
- tqdm >=4.62.0
- typing-extensions >=4.12.0
- tzdata >=2024.1
- urllib3 >=2.2.0
- werkzeug >=3.0.0
- wrapt >=1.16.0
- xgboost >=1.5.0
- zipp >=3.20.0
5 optional dependencies
- black[dev]
- flake8[dev]
- mypy[dev]
- pytest[dev]
- pytest-cov[dev]