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poetry.lock
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poetry.lock
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# This file is automatically @generated by Poetry 1.7.1 and should not be changed by hand.
[[package]]
name = "annotated-types"
version = "0.7.0"
description = "Reusable constraint types to use with typing.Annotated"
optional = false
python-versions = ">=3.8"
files = [
{file = "annotated_types-0.7.0-py3-none-any.whl", hash = "sha256:1f02e8b43a8fbbc3f3e0d4f0f4bfc8131bcb4eebe8849b8e5c773f3a1c582a53"},
{file = "annotated_types-0.7.0.tar.gz", hash = "sha256:aff07c09a53a08bc8cfccb9c85b05f1aa9a2a6f23728d790723543408344ce89"},
]
[[package]]
name = "asttokens"
version = "3.0.0"
description = "Annotate AST trees with source code positions"
optional = false
python-versions = ">=3.8"
files = [
{file = "asttokens-3.0.0-py3-none-any.whl", hash = "sha256:e3078351a059199dd5138cb1c706e6430c05eff2ff136af5eb4790f9d28932e2"},
{file = "asttokens-3.0.0.tar.gz", hash = "sha256:0dcd8baa8d62b0c1d118b399b2ddba3c4aff271d0d7a9e0d4c1681c79035bbc7"},
]
[package.extras]
astroid = ["astroid (>=2,<4)"]
test = ["astroid (>=2,<4)", "pytest", "pytest-cov", "pytest-xdist"]
[[package]]
name = "beartype"
version = "0.17.2"
description = "Unbearably fast runtime type checking in pure Python."
optional = false
python-versions = ">=3.8.0"
files = [
{file = "beartype-0.17.2-py3-none-any.whl", hash = "sha256:c22b21e1f785cfcf5c4d3d13070f532b6243a3ad67e68d2298ff08d539847dce"},
{file = "beartype-0.17.2.tar.gz", hash = "sha256:e911e1ae7de4bccd15745f7643609d8732f64de5c2fb844e89cbbed1c5a8d495"},
]
[package.extras]
all = ["typing-extensions (>=3.10.0.0)"]
dev = ["autoapi (>=0.9.0)", "coverage (>=5.5)", "equinox", "mypy (>=0.800)", "numpy", "pandera", "pydata-sphinx-theme (<=0.7.2)", "pytest (>=4.0.0)", "sphinx", "sphinx (>=4.2.0,<6.0.0)", "sphinxext-opengraph (>=0.7.5)", "tox (>=3.20.1)", "typing-extensions (>=3.10.0.0)"]
doc-rtd = ["autoapi (>=0.9.0)", "pydata-sphinx-theme (<=0.7.2)", "sphinx (>=4.2.0,<6.0.0)", "sphinxext-opengraph (>=0.7.5)"]
test-tox = ["equinox", "mypy (>=0.800)", "numpy", "pandera", "pytest (>=4.0.0)", "sphinx", "typing-extensions (>=3.10.0.0)"]
test-tox-coverage = ["coverage (>=5.5)"]
[[package]]
name = "bofire"
version = "0.0.14"
description = ""
optional = false
python-versions = ">=3.9.0"
files = [
{file = "bofire-0.0.14-py3-none-any.whl", hash = "sha256:712c10069a7952c1c27e7faf0e8eb03ea1137dfcee5a87412313361cffba2a7a"},
{file = "bofire-0.0.14.tar.gz", hash = "sha256:516c2aa06665f507e9ba96d60b66d66b6c5627e20e0f108828e7255764cb6999"},
]
[package.dependencies]
botorch = {version = ">=0.10.0", optional = true, markers = "extra == \"optimization\""}
cloudpickle = {version = ">=2.0.0", optional = true, markers = "extra == \"optimization\""}
cvxpy = {version = "*", extras = ["clarabel"], optional = true, markers = "extra == \"optimization\""}
formulaic = {version = ">=1.0.1", optional = true, markers = "extra == \"optimization\""}
mordred = {version = "*", optional = true, markers = "extra == \"cheminfo\""}
multiprocess = {version = "*", optional = true, markers = "extra == \"optimization\""}
numpy = "*"
pandas = "*"
plotly = {version = "*", optional = true, markers = "extra == \"optimization\""}
pydantic = ">=2.5"
rdkit = {version = ">=2023.3.2", optional = true, markers = "extra == \"cheminfo\""}
scikit-learn = {version = ">=1.0.0", optional = true, markers = "extra == \"cheminfo\" or extra == \"optimization\""}
scipy = ">=1.7"
sympy = {version = ">=1.12", optional = true, markers = "extra == \"optimization\""}
typing-extensions = "*"
[package.extras]
all = ["botorch (>=0.10.0)", "cloudpickle (>=2.0.0)", "cvxpy[clarabel]", "entmoot (>=2.0)", "formulaic (>=1.0.1)", "gurobipy", "jupyter", "lightgbm (==4.0.0)", "matplotlib", "mike", "mkdocs", "mkdocs-jupyter", "mkdocs-material", "mkdocstrings (>=0.18)", "mkdocstrings-python-legacy", "mopti", "mordred", "multiprocess", "numpy", "papermill", "plotly", "pyomo (==6.7.1)", "pytest", "pytest-cov", "rdkit (>=2023.3.2)", "scikit-learn (>=1.0.0)", "seaborn", "sympy (>=1.12)", "xgboost (>=1.7.5)"]
cheminfo = ["mordred", "rdkit (>=2023.3.2)", "scikit-learn (>=1.0.0)"]
docs = ["mike", "mkdocs", "mkdocs-jupyter", "mkdocs-material", "mkdocstrings (>=0.18)", "mkdocstrings-python-legacy"]
entmoot = ["entmoot (>=2.0)", "gurobipy", "lightgbm (==4.0.0)", "pyomo (==6.7.1)"]
optimization = ["botorch (>=0.10.0)", "cloudpickle (>=2.0.0)", "cvxpy[clarabel]", "formulaic (>=1.0.1)", "multiprocess", "numpy", "plotly", "scikit-learn (>=1.0.0)", "sympy (>=1.12)"]
tests = ["mopti", "papermill", "pytest", "pytest-cov"]
tutorials = ["jupyter", "matplotlib", "seaborn"]
xgb = ["xgboost (>=1.7.5)"]
[[package]]
name = "botorch"
version = "0.10.0"
description = "Bayesian Optimization in PyTorch"
optional = false
python-versions = ">=3.9"
files = [
{file = "botorch-0.10.0-py3-none-any.whl", hash = "sha256:c9cbdaff99957909c4bee93f95541b08f26e3767b97097d8f3bc429d98b01401"},
{file = "botorch-0.10.0.tar.gz", hash = "sha256:31b363fc8d0c514b7e00d35d7b2eb0a4fd22b6cede14aca24ce5b65f88694889"},
]
[package.dependencies]
gpytorch = "1.11"
linear-operator = "0.5.1"
mpmath = ">=0.19,<=1.3"
multipledispatch = "*"
pyro-ppl = ">=1.8.4"
scipy = "*"
torch = ">=1.13.1"
[package.extras]
dev = ["black (==22.3.0)", "flake8", "flake8-docstrings", "pytest", "pytest-cov", "sphinx", "ufmt", "usort (==1.0.2)"]
test = ["pytest", "pytest-cov"]
tutorials = ["ax-platform", "cma", "jupyter", "kaleido", "matplotlib", "memory-profiler", "papermill", "pykeops", "torchvision"]
[[package]]
name = "cfgv"
version = "3.4.0"
description = "Validate configuration and produce human readable error messages."
optional = false
python-versions = ">=3.8"
files = [
{file = "cfgv-3.4.0-py2.py3-none-any.whl", hash = "sha256:b7265b1f29fd3316bfcd2b330d63d024f2bfd8bcb8b0272f8e19a504856c48f9"},
{file = "cfgv-3.4.0.tar.gz", hash = "sha256:e52591d4c5f5dead8e0f673fb16db7949d2cfb3f7da4582893288f0ded8fe560"},
]
[[package]]
name = "clarabel"
version = "0.9.0"
description = "Clarabel Conic Interior Point Solver for Rust / Python"
optional = false
python-versions = ">=3.7"
files = [
{file = "clarabel-0.9.0-cp37-abi3-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl", hash = "sha256:702cc4666c0ccf893c936f9f1f55cbb3233ae2d5fa05f67b370ac3e7ec50f222"},
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{file = "clarabel-0.9.0-cp37-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:2b5ae16d7dd87aabf72260cf9590ba0d037c52d48555bcf3a86b1f0d9cf88dd4"},
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{file = "clarabel-0.9.0.tar.gz", hash = "sha256:0d6d3fe8800be5b4b5d40a8e14bd492667b3e46cc5dbe37677ce5ed25f0719d4"},
]
[package.dependencies]
numpy = "*"
scipy = "*"
[[package]]
name = "cloudpickle"
version = "3.1.0"
description = "Pickler class to extend the standard pickle.Pickler functionality"
optional = false
python-versions = ">=3.8"
files = [
{file = "cloudpickle-3.1.0-py3-none-any.whl", hash = "sha256:fe11acda67f61aaaec473e3afe030feb131d78a43461b718185363384f1ba12e"},
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]
[[package]]
name = "colorama"
version = "0.4.6"
description = "Cross-platform colored terminal text."
optional = false
python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
files = [
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[[package]]
name = "contourpy"
version = "1.3.1"
description = "Python library for calculating contours of 2D quadrilateral grids"
optional = false
python-versions = ">=3.10"
files = [
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