A Python package that automatically generates derived variables from a column with SMILES (Simplified Molecular-Input Line-Entry System).

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for archi-park from gravatar.com archi-park

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License
  • Author: daniel park
  • Tags Python, SMILES, Cheminformatics, Molecular Informatics, Molecular Descriptor Generation, Chemical Data Analysis, Computational Chemistry
  • Requires: Python >=3.6
Classifiers

Project description

SMILES featurizer

A Python package that automatically generates derived variables from a column with SMILES (Simplified Molecular-Input Line-Entry System)

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for archi-park from gravatar.com archi-park

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License
  • Author: daniel park
  • Tags Python, SMILES, Cheminformatics, Molecular Informatics, Molecular Descriptor Generation, Chemical Data Analysis, Computational Chemistry
  • Requires: Python >=3.6
Classifiers

Release history Release notifications | RSS feed

0.1.3

0.1.2

0.1.1

This version

0.1.0

Download files

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

Source Distribution

smilesfeaturizer-0.1.0.tar.gz (19.3 MB view details)

Uploaded Source

Built Distribution

smilesfeaturizer-0.1.0-py3-none-any.whl (19.3 MB view details)

Uploaded Python 3

File details

Details for the file smilesfeaturizer-0.1.0.tar.gz.

File metadata

  • Download URL: smilesfeaturizer-0.1.0.tar.gz
  • Upload date:
  • Size: 19.3 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/4.0.2 CPython/3.9.12

File hashes

Hashes for smilesfeaturizer-0.1.0.tar.gz
Algorithm Hash digest
SHA256 d0b39e5bb50f1fc82a53865d8f76dd099f671175dc32d6e0bf3f0e90326f8374
MD5 ae004b5fbc600bc056c1f7803fb9940d
BLAKE2b-256 dadbcccf6bd636e1cbefa2aeee4bb8fd2b65b372be3dbba2ebd847754a3a6381

See more details on using hashes here.

File details

Details for the file smilesfeaturizer-0.1.0-py3-none-any.whl.

File metadata

File hashes

Hashes for smilesfeaturizer-0.1.0-py3-none-any.whl
Algorithm Hash digest
SHA256 b93b6d69379ebc48c94b68f41dedd5b4d98443eec200590c55195135867fc996
MD5 bf745bc12d50056a996c0477548fc8ac
BLAKE2b-256 eb34f1476e09074e90e35ff0b001e5acdd3d82108b883f8d0979e332d82ad827

See more details on using hashes here.

Supported by

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