Library for processing molecules and reactions in python way

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for tagirshin from gravatar.com tagirshin

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: GNU Lesser General Public License v3 or later (LGPLv3+), Other/Proprietary License (LGPLv3)
  • Author: Ramil Nugmanov
  • Requires: Python <4.0, >=3.10
  • Provides-Extra: mapping , png , racer-default , racer-deprecated , rdkit
Classifiers
Report project as malware

Project description

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.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for tagirshin from gravatar.com tagirshin

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: GNU Lesser General Public License v3 or later (LGPLv3+), Other/Proprietary License (LGPLv3)
  • Author: Ramil Nugmanov
  • Requires: Python <4.0, >=3.10
  • Provides-Extra: mapping , png , racer-default , racer-deprecated , rdkit
Classifiers

Release history Release notifications | RSS feed

1.94

This version

1.93

1.91

1.90

Download files

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

Source Distribution

chython_synplan-1.93.tar.gz (893.5 kB view details)

Uploaded Source

Built Distributions

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

chython_synplan-1.93-cp313-cp313-win_amd64.whl (2.7 MB view details)

Uploaded CPython 3.13Windows x86-64

chython_synplan-1.93-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (8.4 MB view details)

Uploaded CPython 3.13manylinux: glibc 2.17+ x86-64

chython_synplan-1.93-cp313-cp313-macosx_13_0_x86_64.whl (2.9 MB view details)

Uploaded CPython 3.13macOS 13.0+ x86-64

chython_synplan-1.93-cp313-cp313-macosx_13_0_arm64.whl (2.2 MB view details)

Uploaded CPython 3.13macOS 13.0+ ARM64

chython_synplan-1.93-cp312-cp312-win_amd64.whl (2.5 MB view details)

Uploaded CPython 3.12Windows x86-64

chython_synplan-1.93-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (6.7 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.17+ x86-64

chython_synplan-1.93-cp312-cp312-macosx_13_0_x86_64.whl (2.6 MB view details)

Uploaded CPython 3.12macOS 13.0+ x86-64

chython_synplan-1.93-cp312-cp312-macosx_13_0_arm64.whl (1.9 MB view details)

Uploaded CPython 3.12macOS 13.0+ ARM64

chython_synplan-1.93-cp311-cp311-win_amd64.whl (2.2 MB view details)

Uploaded CPython 3.11Windows x86-64

chython_synplan-1.93-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (5.0 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.17+ x86-64

chython_synplan-1.93-cp311-cp311-macosx_13_0_x86_64.whl (2.3 MB view details)

Uploaded CPython 3.11macOS 13.0+ x86-64

chython_synplan-1.93-cp311-cp311-macosx_13_0_arm64.whl (1.6 MB view details)

Uploaded CPython 3.11macOS 13.0+ ARM64

chython_synplan-1.93-cp310-cp310-win_amd64.whl (2.0 MB view details)

Uploaded CPython 3.10Windows x86-64

chython_synplan-1.93-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.3 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.17+ x86-64

chython_synplan-1.93-cp310-cp310-macosx_13_0_x86_64.whl (2.0 MB view details)

Uploaded CPython 3.10macOS 13.0+ x86-64

chython_synplan-1.93-cp310-cp310-macosx_13_0_arm64.whl (1.3 MB view details)

Uploaded CPython 3.10macOS 13.0+ ARM64

File details

Details for the file chython_synplan-1.93.tar.gz.

File metadata

  • Download URL: chython_synplan-1.93.tar.gz
  • Upload date:
  • Size: 893.5 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for chython_synplan-1.93.tar.gz
Algorithm Hash digest
SHA256 bb46093b29b1494b1ea49efca9ba2472b834a308b03594ec6da9a336d38c5656
MD5 6c06ff441e959287710d284c57351b94
BLAKE2b-256 568e1b111a836541eddbc9b5d9b2d680cf152d1fb78bdaef0510fe1662bec29a

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp313-cp313-win_amd64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp313-cp313-win_amd64.whl
Algorithm Hash digest
SHA256 2dc4218a9773dddb0e3168ac3bb6b202069e13f3cadf5ed259fd22612aa3ff53
MD5 142ebe43f31eeaf81fcc73871b4da0c0
BLAKE2b-256 c50046c35c13007b57c33132d9c048a5a34511121b1096a5bcf98c7a81933539

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 6941882525e6e0638f48700175b70b853ea4171f4aa8b00a39043f69991090b8
MD5 1c61944f6da4b4a07746cb4c0a23ffa5
BLAKE2b-256 f14d95a29e2a3b7d545d148f8834840b1e4c18fdaed6167dd73f4a743c424cd4

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp313-cp313-macosx_13_0_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp313-cp313-macosx_13_0_x86_64.whl
Algorithm Hash digest
SHA256 fac889cfc5999978c21ef0bcbe90bdcc6d9534a7279717c518fe65b38dda146a
MD5 3ae43a4c5f6570c6ac1f438fb5056030
BLAKE2b-256 4dbe5c2a4392d6a7d13343d7111bba0d38436a83a6a4f0186e6e5ea66102874c

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp313-cp313-macosx_13_0_arm64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp313-cp313-macosx_13_0_arm64.whl
Algorithm Hash digest
SHA256 792c20f3a53f6dcced18319dc07f9e0c31c87a604a87f1dabd7ee078383ccd1e
MD5 8507b255b560ee7f5b182b4e3bf16a67
BLAKE2b-256 9b5060223a9d5410745fa81d305f7de7afe04a569e0117bec8ed186163a6ff8e

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp312-cp312-win_amd64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp312-cp312-win_amd64.whl
Algorithm Hash digest
SHA256 6411eb21e45ee61f3a46397728fad369f9d1a9a1c49d2351f274bfb65c5e6308
MD5 70cb21435ce9324e83b403f05e33482e
BLAKE2b-256 e2bc86b0236653ea2ff717c536e55c22906bfaf7b8d912929c1946c841fefec9

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 34901035aba97c39f57d3c47630c038e50480bfb96e1dc7966df749843efe92e
MD5 cab7bfd5ce01182de80e3ee03f6d704f
BLAKE2b-256 359594bc4e72f2cedd625ffaedcc3634e8d09ad01e8be0fc5b8ac24b600ca68e

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp312-cp312-macosx_13_0_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp312-cp312-macosx_13_0_x86_64.whl
Algorithm Hash digest
SHA256 9f960f83d745c4b1cee8f8cf6e6752b7405fe105eddfb8a4ddcf960678a86818
MD5 b2e42929c35c57b93d98dd7b31d16434
BLAKE2b-256 6e09781442fe2799f0341e0af10ad64b71437310acddc660243ab78fcbf2517b

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp312-cp312-macosx_13_0_arm64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp312-cp312-macosx_13_0_arm64.whl
Algorithm Hash digest
SHA256 6583df3bdf3ec564b6fe30231b74a747c585ec0ed2289f6f117fa7bf60b45d05
MD5 dbb37e2aa8823dcb09a9bcd446cf0616
BLAKE2b-256 d98b7dcfe0241f313e7077f52b95c9917aa4bc88df1aa0b00890247abd40e245

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp311-cp311-win_amd64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp311-cp311-win_amd64.whl
Algorithm Hash digest
SHA256 b17000d563c401fb576754d586e36a0f39bdda363ef88e47fdf67414dd53441f
MD5 82e8e8fc955cf37f1360e86dc708f019
BLAKE2b-256 4ca5ebf5fd130658c829c7a06758105cfe6526bf1707dc8a301d59aec70967c4

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 49559dfa9428cf137df428c6d75800f9849c7f0e84bf35cfa95453bfbaaf652c
MD5 60d24d73ffdbe840eac7d26bb930fda2
BLAKE2b-256 9c5140cd559bb7a05f24971889e523cfde5c27e2bbf89b84915b919bc38047f0

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp311-cp311-macosx_13_0_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp311-cp311-macosx_13_0_x86_64.whl
Algorithm Hash digest
SHA256 152e5ea31c022f94c84c1c8f183962ee1c321c04df4ef624de9eaaf2b509bde4
MD5 0eebc210b48088ec9ce4adc73550b26b
BLAKE2b-256 2f57f8b80905c571f74bb2ecd99f5068661fb736cda8115e4afcc93b48600fe5

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp311-cp311-macosx_13_0_arm64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp311-cp311-macosx_13_0_arm64.whl
Algorithm Hash digest
SHA256 8abfe6e45bbb903249e4c53977f255cf97215f089ea279b6fe505a6de9a0f26b
MD5 b8b70cb40dad9752fbcc7e9a0e6bffe2
BLAKE2b-256 671819adeae82201b8b0e399a43c6f898385808c3e9ed6875a02ea5f95be83ed

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp310-cp310-win_amd64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp310-cp310-win_amd64.whl
Algorithm Hash digest
SHA256 07cf67429a1e49bc7213b4d0d81688714076772f70704cde904b265cea4d7d57
MD5 aed1aba2f24781a127b55dd6edec1705
BLAKE2b-256 2a279a8fa25e10e6debb6091baa8b37324cb2f732249c100f2f5ac39161ac396

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 b59d5d2576a415c39a943664ad251a30fde87505dd8013664eb419a86dc8ba1a
MD5 b2f4f43e2fa369e02f3d4f716015d1bc
BLAKE2b-256 12c35c9323c70c05923d36a0d1f3a9341189a7e99d566edd0cb61f268eb58c09

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp310-cp310-macosx_13_0_x86_64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp310-cp310-macosx_13_0_x86_64.whl
Algorithm Hash digest
SHA256 4c76cda53f40c1a6a28fe4149ce4bbdca81a4b2a52835b84bfa1d4daf6819385
MD5 5311c6302c3ec7a1764f52f1dd36fec4
BLAKE2b-256 2ccfba747e0b74a063f7c8ebb9abd0b4d7de958197724790c27baeca85e9a053

See more details on using hashes here.

File details

Details for the file chython_synplan-1.93-cp310-cp310-macosx_13_0_arm64.whl.

File metadata

File hashes

Hashes for chython_synplan-1.93-cp310-cp310-macosx_13_0_arm64.whl
Algorithm Hash digest
SHA256 282a15d7757e682629a1b7c2b17e33e60e33558f4a57fc37e19184e267adc97b
MD5 7ebbfb6610b97db2b1b19822bc93d41e
BLAKE2b-256 535f9857f693e802b29ada7eae4146ea900c85d9c40cf44f48bc78d97a1fb2ca

See more details on using hashes here.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page