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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 1.107

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 1.107
File Size Uploaded
chython_synplan-1.107.tar.gz 8.8 MB Details

Built distributions (wheels)

Table of built distributions (wheels) for chython-synplan 1.107
File
chython_synplan-1.107-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details
chython_synplan-1.107-cp314-cp314-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.107-cp314-cp314-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.14 CPython 3.14 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
chython_synplan-1.107-cp314-cp314-macosx_13_0_x86_64.whl CPython 3.14 CPython 3.14 macOS 13.0+ x86-64 Details
chython_synplan-1.107-cp314-cp314-macosx_13_0_arm64.whl CPython 3.14 CPython 3.14 macOS 13.0+ ARM64 Details
chython_synplan-1.107-cp313-cp313-win_amd64.whl CPython 3.13 CPython 3.13 Windows x86-64 Details
chython_synplan-1.107-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.13 CPython 3.13 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
chython_synplan-1.107-cp313-cp313-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
chython_synplan-1.107-cp313-cp313-macosx_13_0_x86_64.whl CPython 3.13 CPython 3.13 macOS 13.0+ x86-64 Details
chython_synplan-1.107-cp313-cp313-macosx_13_0_arm64.whl CPython 3.13 CPython 3.13 macOS 13.0+ ARM64 Details
chython_synplan-1.107-cp312-cp312-win_amd64.whl CPython 3.12 CPython 3.12 Windows x86-64 Details
chython_synplan-1.107-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
chython_synplan-1.107-cp312-cp312-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.12 CPython 3.12 Linux glibc 2.24+ ARM64, Linux glibc 2.28+ ARM64 Details
chython_synplan-1.107-cp312-cp312-macosx_13_0_x86_64.whl CPython 3.12 CPython 3.12 macOS 13.0+ x86-64 Details
chython_synplan-1.107-cp312-cp312-macosx_13_0_arm64.whl CPython 3.12 CPython 3.12 macOS 13.0+ ARM64 Details
chython_synplan-1.107-cp311-cp311-win_amd64.whl CPython 3.11 CPython 3.11 Windows x86-64 Details
chython_synplan-1.107-cp311-cp311-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 Details
chython_synplan-1.107-cp311-cp311-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.11 CPython 3.11 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
chython_synplan-1.107-cp311-cp311-macosx_13_0_x86_64.whl CPython 3.11 CPython 3.11 macOS 13.0+ x86-64 Details
chython_synplan-1.107-cp311-cp311-macosx_13_0_arm64.whl CPython 3.11 CPython 3.11 macOS 13.0+ ARM64 Details
chython_synplan-1.107-cp310-cp310-win_amd64.whl CPython 3.10 CPython 3.10 Windows x86-64 Details
chython_synplan-1.107-cp310-cp310-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl CPython 3.10 CPython 3.10 Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 Details
chython_synplan-1.107-cp310-cp310-manylinux_2_24_aarch64.manylinux_2_28_aarch64.whl CPython 3.10 CPython 3.10 Linux glibc 2.28+ ARM64, Linux glibc 2.24+ ARM64 Details
chython_synplan-1.107-cp310-cp310-macosx_13_0_x86_64.whl CPython 3.10 CPython 3.10 macOS 13.0+ x86-64 Details
chython_synplan-1.107-cp310-cp310-macosx_13_0_arm64.whl CPython 3.10 CPython 3.10 macOS 13.0+ ARM64 Details

Total release size: 383.6 MB

Release files / chython_synplan-1.107.tar.gz

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Release files / chython_synplan-1.107-cp310-cp310-macosx_13_0_x86_64.whl

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Release files / chython_synplan-1.107-cp310-cp310-macosx_13_0_arm64.whl

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This release

1.107 This release

26 release files

1.105

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

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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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