Molecular activity prediction using transformer neural networks with 5 operational modes

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for yale2011BTBU from gravatar.com yale2011BTBU

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT)
  • Author: Dr. Jiang at BTBU
  • Maintainer: Dr. Jiang at BTBU
  • Tags molecular-activity , machine-learning , transformer , neural-networks , natural-products , drug-discovery , cheminformatics , bioinformatics , SMILES , molecular-modeling , deep-learning , pharmaceutical , chemical-analysis , molecular-descriptors , QSAR , drug-development
  • Requires: Python >=3.8
  • Provides-Extra: all , chem , dev , fast , image , rocket , tools
Classifiers
Report project as malware

Project description

Molactivity 3.0

License Python Status PyPI

Advanced Molecular Activity Prediction Toolkit

  • Multi-mode molecular property prediction platform based on Transformer neural networks.
  1. Quick Start
pip install molactivity[all]
  1. Full Documentation

For complete installation guides, usage examples, scripts, and documentation, please visit our official website:

** molactivity.com (http://molactivity.com) **

  1. Five Modes Available
  • Standard Mode: Pure Python implementation
  • Fast Mode: NumPy optimization
  • Rocket Mode: PyTorch deep learning
  • Image Mode: Molecular image processing
  • Tools Mode: Analysis utilities

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for yale2011BTBU from gravatar.com yale2011BTBU

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT)
  • Author: Dr. Jiang at BTBU
  • Maintainer: Dr. Jiang at BTBU
  • Tags molecular-activity , machine-learning , transformer , neural-networks , natural-products , drug-discovery , cheminformatics , bioinformatics , SMILES , molecular-modeling , deep-learning , pharmaceutical , chemical-analysis , molecular-descriptors , QSAR , drug-development
  • Requires: Python >=3.8
  • Provides-Extra: all , chem , dev , fast , image , rocket , tools
Classifiers

Release history Release notifications | RSS feed

This version

3.0

Download files

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

Source Distribution

molactivity-3.0.tar.gz (61.0 MB view details)

Uploaded Source

Built Distribution

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

molactivity-3.0-py3-none-any.whl (61.1 MB view details)

Uploaded Python 3

File details

Details for the file molactivity-3.0.tar.gz.

File metadata

  • Download URL: molactivity-3.0.tar.gz
  • Upload date:
  • Size: 61.0 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.1.0 CPython/3.12.3

File hashes

Hashes for molactivity-3.0.tar.gz
Algorithm Hash digest
SHA256 40e3abf74f749a50a47f3ed33df3be59638be855a7572e4e4cc12859a7ff4f02
MD5 ee44eee46bb88973e38ca4e5bb3cf86d
BLAKE2b-256 9d292a0027ee54123751c776e6adec7874cd3b919431cad55e6f74917afb9a02

See more details on using hashes here.

File details

Details for the file molactivity-3.0-py3-none-any.whl.

File metadata

  • Download URL: molactivity-3.0-py3-none-any.whl
  • Upload date:
  • Size: 61.1 MB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.1.0 CPython/3.12.3

File hashes

Hashes for molactivity-3.0-py3-none-any.whl
Algorithm Hash digest
SHA256 c9e04432ad4396235eca4a7a2e282325d7f220307ae61a1ca6e00373682eb717
MD5 74cc99a6cdef56766dd8e749fe3da5f3
BLAKE2b-256 d0121954d498e1dfb630583548bddcbf242c0cb6b9945fef0f6eb136a3cc6ae7

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