Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- ase >=3.22.0
- asyncio >=3.4.3
- click >=8.1.0
- fastapi >=0.104.0
- fastmcp >=0.5.0
- gitpython >=3.1.0
- httpx >=0.24.0
- mace-torch >=0.3.4
- numpy >=1.24.0
- openai >=1.0.0
- openai-agents >=0.0.16
- pandas >=2.0.0
- prompt-toolkit >=3.0.0
- pydantic >=2.0.0
- pymatgen >=2024.1.0
- python-dotenv >=1.0.0
- pyyaml >=6.0.0
- rdkit >=2023.9.1
- rich >=13.0.0
- scipy >=1.11.0
- smact >=2.7.0
- starlette >=0.27.0
- toml >=0.10.0
- torch >=2.0.0
- typing-extensions >=4.5.0
- uvicorn >=0.23.0
- websockets >=11.0.0
29 optional dependencies
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black>=23.0.0[dev]extra == "dev"
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crystalyse-ai[all]extra == "all"
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isort>=5.12.0[dev]extra == "dev"
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kaleido>=0.2.1[visualization]extra == "visualization"
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matminer>=0.9.0[materials]extra == "materials"
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matplotlib>=3.7.0[visualization]extra == "visualization"
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mkdocs>=1.5.0[docs]extra == "docs"
-
mkdocs-jupyter>=0.24.0[docs]extra == "docs"
-
mkdocs-material>=9.0.0[docs]extra == "docs"
-
mkdocstrings>=0.24.0[docs]extra == "docs"
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mp-api>=0.41.0[materials]extra == "materials"
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mypy>=1.0.0[dev]extra == "dev"
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pennylane>=0.32.0[quantum]extra == "quantum"
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plotly>=5.18.0[visualization]extra == "visualization"
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pre-commit>=3.0.0[dev]extra == "dev"
-
py3dmol>=2.0.4[visualization]extra == "visualization"
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pymatgen>=2024.1.0[materials]extra == "materials"
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pymatviz>=0.8.5[visualization]extra == "visualization"
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pyscf>=2.3.0[quantum]extra == "quantum"
-
pytest>=7.0.0[dev]extra == "dev"
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pytest-asyncio>=0.21.0[dev]extra == "dev"
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pytest-cov>=4.0.0[dev]extra == "dev"
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pytest-mock>=3.11.0[dev]extra == "dev"
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qiskit-nature>=0.7.0[quantum]extra == "quantum"
-
ruff>=0.1.0[dev]extra == "dev"
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scikit-learn>=1.3.0[ml]extra == "ml"
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seaborn>=0.12.0[visualization]extra == "visualization"
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torch>=2.0.0[ml]extra == "ml"
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transformers>=4.30.0[ml]extra == "ml"