unitarylab-chemistry

Molecular electronic-structure, DMRG, circuit variational decomposition, and measurement workflows for UnitaryLab.

The PyPI distribution name is unitarylab-chemistry; the Python import package is unitarylab_chemistry.

Supported environment

CPython 3.10, 3.11, and 3.12
unitarylab 1.4 or later

Install

Install through the UnitaryLab optional extra:

python -m pip install "unitarylab[chemistry]"

Synchronize sources from main

Keep release-specific packaging files on this branch and synchronize only the shared Chemistry source directory:

git switch release/chemistry
git fetch origin main
git restore --source origin/main -- unitarylab_chemistry
git diff
git add unitarylab_chemistry
git commit -m "sync: update chemistry sources from main"

Do not merge main into this branch; doing so would restore the complete UnitaryLab source tree.

中文说明

unitarylab-chemistry 是 UnitaryLab 的独立分子化学工作流发行包，Python 导入名为 unitarylab_chemistry。推荐通过以下命令安装：

python -m pip install "unitarylab[chemistry]"

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unitarylab_chemistry-0.1.1-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl (3.7 MB view details)

Uploaded Sep 9, 2026 CPython 3.12manylinux: glibc 2.17+ x86-64manylinux: glibc 2.28+ x86-64

unitarylab_chemistry-0.1.1-cp312-cp312-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl (3.6 MB view details)

Uploaded Sep 9, 2026 CPython 3.12manylinux: glibc 2.17+ ARM64manylinux: glibc 2.28+ ARM64

unitarylab_chemistry-0.1.1-cp312-cp312-macosx_11_0_arm64.whl (496.2 kB view details)

Uploaded Sep 9, 2026 CPython 3.12macOS 11.0+ ARM64

unitarylab_chemistry-0.1.1-cp312-cp312-macosx_10_13_x86_64.whl (544.6 kB view details)

Uploaded Sep 9, 2026 CPython 3.12macOS 10.13+ x86-64

unitarylab_chemistry-0.1.1-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl (3.7 MB view details)

Uploaded Sep 9, 2026 CPython 3.11manylinux: glibc 2.17+ x86-64manylinux: glibc 2.28+ x86-64

unitarylab_chemistry-0.1.1-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl (3.6 MB view details)

Uploaded Sep 9, 2026 CPython 3.11manylinux: glibc 2.17+ ARM64manylinux: glibc 2.28+ ARM64

unitarylab_chemistry-0.1.1-cp311-cp311-macosx_11_0_arm64.whl (496.3 kB view details)

Uploaded Sep 9, 2026 CPython 3.11macOS 11.0+ ARM64

unitarylab_chemistry-0.1.1-cp311-cp311-macosx_10_9_x86_64.whl (541.4 kB view details)

Uploaded Sep 9, 2026 CPython 3.11macOS 10.9+ x86-64

unitarylab_chemistry-0.1.1-cp310-cp310-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl (3.5 MB view details)

Uploaded Sep 9, 2026 CPython 3.10manylinux: glibc 2.17+ x86-64manylinux: glibc 2.28+ x86-64

unitarylab_chemistry-0.1.1-cp310-cp310-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl (3.4 MB view details)

Uploaded Sep 9, 2026 CPython 3.10manylinux: glibc 2.17+ ARM64manylinux: glibc 2.28+ ARM64

unitarylab_chemistry-0.1.1-cp310-cp310-macosx_11_0_arm64.whl (504.9 kB view details)

Uploaded Sep 9, 2026 CPython 3.10macOS 11.0+ ARM64

unitarylab_chemistry-0.1.1-cp310-cp310-macosx_10_9_x86_64.whl (548.7 kB view details)

Uploaded Sep 9, 2026 CPython 3.10macOS 10.9+ x86-64

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This release

0.1.1 This release

Sep 9, 2026 12 files

0.1.0

Sep 2, 2026 12 files

unitarylab-chemistry 0.1.1

unitarylab-chemistry

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