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Chython [ˈkʌɪθ(ə)n]

Library for processing molecules and reactions in python way.

Features:
  • Read/write/convert formats: MDL .RDF (.RXN) and .SDF (.MOL), .MRV, SMILES, INCHI (inchi-trust library), .XYZ, .PDB

  • Standardize molecules and reactions and valid structures checker

  • Supported python-magic

  • Tetrahedron, Allene and CIS-TRANS stereo supported

  • Perform subgraph search

  • Build/edit molecules and reactions with Python API

  • Produce template based reactions and molecules

  • Atom-to-atom mapping, checking and rule-based fixing

  • Perform MCS search

  • 2d coordinates generation (based on SmilesDrawer)

  • 2d/3d depiction with Jupyter support

  • SMARTS parser with restrictions

  • Protective groups remover

  • Common reaction templates collection

Full documentation can be found here.

CGRtools

Chython is fork of CGRtools.

Install

Only python 3.8+.

pip install chython[racer-default]

Contributors

CGRtools contributors are included too.

Metadata

Release files for chython-synplan 1.105

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for chython-synplan 1.105
File Size Uploaded
chython_synplan-1.105.tar.gz 2.3 MB Details

Built distributions (wheels)

Table of built distributions (wheels) for chython-synplan 1.105
File
chython_synplan-1.105-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details
chython_synplan-1.105-cp314-cp314-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 Linux glibc 2.17+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.105-cp314-cp314-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl CPython 3.14 CPython 3.14 Linux glibc 2.17+ ARM64, Linux glibc 2.28+ ARM64 Details
chython_synplan-1.105-cp314-cp314-macosx_13_0_x86_64.whl CPython 3.14 CPython 3.14 macOS 13.0+ x86-64 Details
chython_synplan-1.105-cp314-cp314-macosx_13_0_arm64.whl CPython 3.14 CPython 3.14 macOS 13.0+ ARM64 Details
chython_synplan-1.105-cp313-cp313-win_amd64.whl CPython 3.13 CPython 3.13 Windows x86-64 Details
chython_synplan-1.105-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.105-cp313-cp313-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.28+ ARM64, Linux glibc 2.17+ ARM64 Details
chython_synplan-1.105-cp313-cp313-macosx_13_0_x86_64.whl CPython 3.13 CPython 3.13 macOS 13.0+ x86-64 Details
chython_synplan-1.105-cp313-cp313-macosx_13_0_arm64.whl CPython 3.13 CPython 3.13 macOS 13.0+ ARM64 Details
chython_synplan-1.105-cp312-cp312-win_amd64.whl CPython 3.12 CPython 3.12 Windows x86-64 Details
chython_synplan-1.105-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.105-cp312-cp312-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ ARM64, Linux glibc 2.28+ ARM64 Details
chython_synplan-1.105-cp312-cp312-macosx_13_0_x86_64.whl CPython 3.12 CPython 3.12 macOS 13.0+ x86-64 Details
chython_synplan-1.105-cp312-cp312-macosx_13_0_arm64.whl CPython 3.12 CPython 3.12 macOS 13.0+ ARM64 Details
chython_synplan-1.105-cp311-cp311-win_amd64.whl CPython 3.11 CPython 3.11 Windows x86-64 Details
chython_synplan-1.105-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.105-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl CPython 3.11 CPython 3.11 Linux glibc 2.28+ ARM64, Linux glibc 2.17+ ARM64 Details
chython_synplan-1.105-cp311-cp311-macosx_13_0_x86_64.whl CPython 3.11 CPython 3.11 macOS 13.0+ x86-64 Details
chython_synplan-1.105-cp311-cp311-macosx_13_0_arm64.whl CPython 3.11 CPython 3.11 macOS 13.0+ ARM64 Details
chython_synplan-1.105-cp310-cp310-win_amd64.whl CPython 3.10 CPython 3.10 Windows x86-64 Details
chython_synplan-1.105-cp310-cp310-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.105-cp310-cp310-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ ARM64, Linux glibc 2.28+ ARM64 Details
chython_synplan-1.105-cp310-cp310-macosx_13_0_x86_64.whl CPython 3.10 CPython 3.10 macOS 13.0+ x86-64 Details
chython_synplan-1.105-cp310-cp310-macosx_13_0_arm64.whl CPython 3.10 CPython 3.10 macOS 13.0+ ARM64 Details

Total release size: 89.1 MB

Release files / chython_synplan-1.105.tar.gz

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This release

1.105 This release

26 release files

1.104

26 release files

1.103

26 release files

1.99

21 release files

1.98

17 release files

1.97

17 release files

1.96

17 release files

1.95

17 release files

1.94

17 release files

1.93

17 release files

1.91

12 release files

1.90

9 release files

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