jucombinator

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Project description

Create all possible substitutions of a set of functional groups on a skeleton structure.

Usage

import jucombinator

combinations = jucombinator.substitute(
    skeleton="c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1",
    substituents=["N(C)C", "O", "N", "S", "C", "F"],
    n=2,
)

Intallation

pip install jucombinator

Project details

These details have not been verified by PyPI

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

Release history Release notifications | RSS feed

This version

0.3.0

Aug 23, 2023

0.2.0

Aug 23, 2023

0.1.0

Aug 23, 2023

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jucombinator-0.3.0.tar.gz (7.3 kB view hashes)

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jucombinator-0.3.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.12 manylinux: glibc 2.17+ x86-64

jucombinator-0.3.0-cp312-cp312-manylinux_2_17_s390x.manylinux2014_s390x.whl (1.3 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.12 manylinux: glibc 2.17+ s390x

jucombinator-0.3.0-cp312-cp312-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl (1.2 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.12 manylinux: glibc 2.17+ ppc64le

jucombinator-0.3.0-cp312-cp312-manylinux_2_17_armv7l.manylinux2014_armv7l.whl (1.1 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.12 manylinux: glibc 2.17+ ARMv7l

jucombinator-0.3.0-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (1.1 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.12 manylinux: glibc 2.17+ ARM64

jucombinator-0.3.0-cp312-cp312-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.12 manylinux: glibc 2.5+ i686

jucombinator-0.3.0-cp311-none-win_amd64.whl (150.0 kB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 Windows x86-64

jucombinator-0.3.0-cp311-none-win32.whl (142.7 kB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 Windows x86

jucombinator-0.3.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 manylinux: glibc 2.17+ x86-64

jucombinator-0.3.0-cp311-cp311-manylinux_2_17_s390x.manylinux2014_s390x.whl (1.3 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 manylinux: glibc 2.17+ s390x

jucombinator-0.3.0-cp311-cp311-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl (1.2 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 manylinux: glibc 2.17+ ppc64le

jucombinator-0.3.0-cp311-cp311-manylinux_2_17_armv7l.manylinux2014_armv7l.whl (1.1 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 manylinux: glibc 2.17+ ARMv7l

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Uploaded Aug 23, 2023 CPython 3.11 manylinux: glibc 2.17+ ARM64

jucombinator-0.3.0-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.whl (1.2 MB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 manylinux: glibc 2.5+ i686

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Uploaded Aug 23, 2023 CPython 3.11 macOS 11.0+ ARM64

jucombinator-0.3.0-cp311-cp311-macosx_10_7_x86_64.whl (282.6 kB view hashes)

Uploaded Aug 23, 2023 CPython 3.11 macOS 10.7+ x86-64

Hashes for jucombinator-0.3.0.tar.gz

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Hashes for jucombinator-0.3.0-cp312-cp312-manylinux_2_17_s390x.manylinux2014_s390x.whl
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Hashes for jucombinator-0.3.0-cp312-cp312-manylinux_2_5_i686.manylinux1_i686.whl
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Hashes for jucombinator-0.3.0-cp311-cp311-manylinux_2_17_s390x.manylinux2014_s390x.whl
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Algorithm	Hash digest
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Hashes for jucombinator-0.3.0-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.whl
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Hashes for jucombinator-0.3.0-cp311-cp311-macosx_11_0_arm64.whl
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