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]

Copyright

Contributors

CGRtools contributors are included too.

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Newer release available (3.0.2)

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for nougmanoff from gravatar.com nougmanoff

Credits

Author: Ramil Nugmanov

License

GNU Lesser General Public License v3 or later (LGPLv3+), Other/Proprietary License (LGPLv3)

Requires

Python >=3.8

Provides Extra

mapping png racer-default racer-deprecated rdkit

Classifiers

Report project as malware

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distributions

No source distribution files available for this release.See tutorial on generating distribution archives.

Built Distributions

If you're not sure about the file name format, learn more about wheel file names.

chython-2.9.1-cp312-cp312-win_amd64.whl (1.3 MB view details)

Uploaded CPython 3.12Windows x86-64

chython-2.9.1-cp312-cp312-manylinux_2_35_x86_64.whl (2.8 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.35+ x86-64

chython-2.9.1-cp312-cp312-macosx_15_0_arm64.whl (949.8 kB view details)

Uploaded CPython 3.12macOS 15.0+ ARM64

chython-2.9.1-cp311-cp311-win_amd64.whl (1.3 MB view details)

Uploaded CPython 3.11Windows x86-64

chython-2.9.1-cp311-cp311-manylinux_2_35_x86_64.whl (2.8 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.35+ x86-64

chython-2.9.1-cp311-cp311-macosx_15_0_arm64.whl (950.2 kB view details)

Uploaded CPython 3.11macOS 15.0+ ARM64

chython-2.9.1-cp310-cp310-win_amd64.whl (1.3 MB view details)

Uploaded CPython 3.10Windows x86-64

chython-2.9.1-cp310-cp310-manylinux_2_35_x86_64.whl (2.7 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.35+ x86-64

chython-2.9.1-cp310-cp310-macosx_15_0_arm64.whl (947.1 kB view details)

Uploaded CPython 3.10macOS 15.0+ ARM64

File details

Details for the file chython-2.9.1-cp312-cp312-win_amd64.whl.

File metadata

  • Download URL: chython-2.9.1-cp312-cp312-win_amd64.whl
  • Upload date:
  • Size: 1.3 MB
  • Tags: CPython 3.12, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.12.10

File hashes

Hashes for chython-2.9.1-cp312-cp312-win_amd64.whl
Algorithm Hash digest
SHA256 b6d115c463f09e83c3229e2e31b8f9ece3aa8af7cc02485c6f5118d2769d32aa
MD5 9237afd73d50f4df6d21e3ba3c72a59f
BLAKE2b-256 9d774aaf92fd6db3f58025189c603786348481c0666ecbe6843913dee885cfc6

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp312-cp312-manylinux_2_35_x86_64.whl.

File metadata

File hashes

Hashes for chython-2.9.1-cp312-cp312-manylinux_2_35_x86_64.whl
Algorithm Hash digest
SHA256 73d8650b586eea787b398010fa4a5b590ab45eeb7bc007d5815112d9c6c8d558
MD5 e8302fb9701aeab83bcb06b9888915e2
BLAKE2b-256 66c15da6a58fdf21e661cd7b00cc8418ac588dc5bd1aea623bdea54fed5c6ebb

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp312-cp312-macosx_15_0_arm64.whl.

File metadata

File hashes

Hashes for chython-2.9.1-cp312-cp312-macosx_15_0_arm64.whl
Algorithm Hash digest
SHA256 e2a3774e3e946a190e20b03419fffac883006860a7b1dbae73dc099f0db00075
MD5 7a7de95156fe6e7458f169ccb366eb88
BLAKE2b-256 249abf9f8346688e27d85abb4ab1bf388501cd42a815f990c40bb8ac185ee561

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp311-cp311-win_amd64.whl.

File metadata

  • Download URL: chython-2.9.1-cp311-cp311-win_amd64.whl
  • Upload date:
  • Size: 1.3 MB
  • Tags: CPython 3.11, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.11.9

File hashes

Hashes for chython-2.9.1-cp311-cp311-win_amd64.whl
Algorithm Hash digest
SHA256 773cac6dc9996db236424e7d27e6da84bc54eb4b5b3cf2ea57aed4c191cf5fdc
MD5 bea94bedae52fbbf3c115d90306f5cf2
BLAKE2b-256 41a73ba1cbb20b181fe88d956bbb022fd9ce0f2b874a46165d1bc93e1a9fdb9b

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp311-cp311-manylinux_2_35_x86_64.whl.

File metadata

File hashes

Hashes for chython-2.9.1-cp311-cp311-manylinux_2_35_x86_64.whl
Algorithm Hash digest
SHA256 8eebf119b26304c72d0eb2e7ff2cf96f5cb7ef24046e3ccde97e4c73bb4a4eeb
MD5 86ad7f475654ce9a087e964547f44da9
BLAKE2b-256 ef653cb21838b9848bccf79da52333d89cf546804aa628b27bda0b0bcb67df64

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp311-cp311-macosx_15_0_arm64.whl.

File metadata

File hashes

Hashes for chython-2.9.1-cp311-cp311-macosx_15_0_arm64.whl
Algorithm Hash digest
SHA256 b8f1f1fc722a34b3692a21fc459fc71363cf57ee3a9ec0e4f74cd77686fc7550
MD5 ac0aa716369f30e3ee4f36ac536e42e2
BLAKE2b-256 66b9a149bcbfafaee172c7478227318985e908b57786cbd7bc3b7b4f4414a8ad

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp310-cp310-win_amd64.whl.

File metadata

  • Download URL: chython-2.9.1-cp310-cp310-win_amd64.whl
  • Upload date:
  • Size: 1.3 MB
  • Tags: CPython 3.10, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.10.11

File hashes

Hashes for chython-2.9.1-cp310-cp310-win_amd64.whl
Algorithm Hash digest
SHA256 f2f36f90e66fb40dcb729b49448e56a533f36a9944cb4acc7d858405ed31afbd
MD5 2cc5038db79de8e0bdbdab722df077e5
BLAKE2b-256 7a726ba21ef124bde2f0a36f457415605eb33856b7fec1836e267b6f6e5a61d6

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp310-cp310-manylinux_2_35_x86_64.whl.

File metadata

File hashes

Hashes for chython-2.9.1-cp310-cp310-manylinux_2_35_x86_64.whl
Algorithm Hash digest
SHA256 38bab94b06505cf61b3e4e2f307eb93396c6bec0d07d10eab706d671cded119f
MD5 50bf12319b22974822427b7d675c60d4
BLAKE2b-256 8fcef5fec64207f1458b88e73aaf2d958b255e34287b9cc9ce3119aa7511c5f4

See more details on using hashes here.

File details

Details for the file chython-2.9.1-cp310-cp310-macosx_15_0_arm64.whl.

File metadata

File hashes

Hashes for chython-2.9.1-cp310-cp310-macosx_15_0_arm64.whl
Algorithm Hash digest
SHA256 923501172da71a28971d7d3abf59cabed8c493e212aa7e651125876624c8187a
MD5 d1508695f933efa15ddfdd519994ba8b
BLAKE2b-256 3cbd56c4097592c87fd22e5f60da9fc4f90ae22280e46ed72a66f641eface688

See more details on using hashes here.

Release history Release notifications | RSS feed

3.0.2

21 files

2.24

20 files

2.22

20 files

2.21

20 files

2.20

20 files

2.19

15 files

2.18

9 files

2.17

9 files

2.16

9 files

Pre-release

2.15.2a1

9 files

2.15.1

9 files

2.13

9 files

2.12

9 files

2.11.1

9 files

2.11

9 files

2.10

9 files

This release

2.9.1 This release

9 files

2.8.1

9 files

2.7.2

14 files

2.6

9 files

2.5

9 files

2.4

13 files

2.3

12 files

1.78

12 files

1.75

12 files

1.70

16 files

1.68

7 files

1.64.1

1 file

1.64

6 files

1.57

7 files

1.54

7 files

1.48.1

7 files

1.45

7 files

1.44

4 files

1.42

1 file

1.41

1 file

1.38

1 file

1.36

1 file

1.34

1 file

1.33

1 file

1.31

1 file

1.27

1 file

1.23

1 file

1.22

1 file

1.20

1 file

1.19

1 file

1.17

1 file

1.16.1

1 file

1.15

1 file

1.11.1

1 file

1.10

1 file

1.8

1 file

1.6

1 file

1.1

1 file

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page