chython-synplan

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

2014-2025 Ramil Nugmanov nougmanoff@protonmail.com main developer

Contributors

CGRtools contributors are included too.

Adelia Fatykhova adelik21979@gmail.com
Aleksandr Sizov murkyrussian@gmail.com
Dinar Batyrshin batyrshin-dinar@mail.ru
Dmitrij Zanadvornykh zandmitrij@gmail.com
Ravil Mukhametgaleev sonic-mc@mail.ru
Tagir Akhmetshin tagirshin@gmail.com
Timur Gimadiev timur.gimadiev@gmail.com
Zarina Ibragimova

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Release history Release notifications | RSS feed

1.103

Aug 11, 2026 26 files

1.102

Aug 6, 2026 26 files

1.101

Aug 4, 2026 21 files

1.100

Aug 3, 2026 21 files

This release

1.99 This release

Aug 3, 2026 21 files

1.98

Aug 3, 2026 17 files

1.97

Aug 3, 2026 17 files

1.96

May 18, 2026 17 files

1.95

May 16, 2026 17 files

1.94

Feb 15, 2026 17 files

1.93

Feb 13, 2026 17 files

1.91

May 11, 2025 12 files

1.90

May 10, 2025 9 files

chython-synplan 1.99

Chython [ˈkʌɪθ(ə)n]

CGRtools

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