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Dependencies
- biopython >=1.79
- loguru >=0.7.0
- matplotlib >=3.5.0
- numpy <3.0.0,>=1.21.0
- openfermion >=1.5.0
- openfermionpyscf >=0.5
- pydantic >=2.0.0
- pyscf >=2.0.0
- python-dotenv >=0.19.0
- qiskit >=1.3.0
- qiskit-aer >=0.15.0
- qiskit-ibm-runtime >=0.30.0
- quillow >=2.0.0
- rdkit >=2023.9.1
- requests >=2.28.0
- uuid6 >=2023.5.2
24 optional dependencies
- azure-quantum[cloud]
- black[dev]
- boto3[cloud]
- cirq-ionq[cloud]
- flake8[dev]
- isort[dev]
- meeko[vina]
- mypy[dev]
- openbabel-wheel[vina]
- openfermionpyscf[quantum-chemistry]
- openmm[openmm]
- pandas[visualization]
- pillow[viz]
- plotly[visualization]
- pre-commit[dev]
- py3dmol[viz]
- pyscf[quantum-chemistry]
- pytest[dev]
- pytest-cov[dev]
- rdkit[vina]
- seaborn[visualization]
- sphinx[docs]
- sphinx-autodoc-typehints[docs]
- sphinx-rtd-theme[docs]