rdkit
A collection of chemoinformatics and machine-learning software written in C++ and Python
- Category
- Python packages
pip install rdkit Official docs outline
rdkit.readthedocs.ioExtra Credit builds an outline of rdkit's docs the first time your work uses it. Until then, start at the official documentation.
More in Python packages
All 9,553- plumbum Plumbum: shell combinators library
- structlog-sentry Sentry integration for structlog
- nats-py NATS client for Python
- colorclass Colorful worry-free console applications for Linux, Mac OS X, and Windows.
- mistral_common Mistral-common is a library of common utilities for Mistral AI.
- port-for Utility that helps with local TCP ports management. It can find an unused TCP localhost port and remember the association.
- pytest-dotenv A py.test plugin that parses environment files before running tests
- litellm-enterprise Package for LiteLLM Enterprise features
- turbopuffer The official Python library for the turbopuffer API
- azure-nspkg Microsoft Azure Namespace Package [Internal]
- django-oauth-toolkit OAuth 2.0 authorization server for Django
- cuda-python CUDA Python: Performance meets Productivity