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rdkit avatar

rdkit/rdkit

0
View on GitHub↗
3,473 stars·1,025 forks·HTML·BSD-3-Clause·5 views

Rdkit

The official sources for the RDKit library

Features

  • Scientific Computing - Cheminformatics and machine learning.
  • General Tools - Core cheminformatics and machine learning library for molecules.
  • Scientific Computing - Listed in the “Scientific Computing” section of the Awesome Python awesome list.

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Open-source alternatives to Rdkit

Similar open-source projects, ranked by how many features they share with Rdkit.
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    View on GitHub↗5,049
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    PythonRobotics is a comprehensive collection of modular robotics algorithms and educational simulations designed for autonomous navigation, state estimation, and motion control. The project provides a library of standalone implementations for path planning, localization, mapping, and kinematics, serving as a resource for researchers and students to experiment with foundational and advanced robotic theories. The project distinguishes itself through an algorithm-centric design where each module functions as an isolated script, allowing for independent testing and clear pedagogical demonstration

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  • cclib/cclibcclib avatar

    cclib/cclib

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See all 30 alternatives to Rdkit→

Frequently asked questions

What does rdkit/rdkit do?

The official sources for the RDKit library

What are the main features of rdkit/rdkit?

The main features of rdkit/rdkit are: Scientific Computing, General Tools.

What are some open-source alternatives to rdkit/rdkit?

Open-source alternatives to rdkit/rdkit include: cclib/cclib — Parsers and algorithms for computational chemistry logfiles. colour-science/colour — Colour Science for Python. atsushisakai/pythonrobotics — PythonRobotics is a comprehensive collection of modular robotics algorithms and educational simulations designed for… biopython/biopython — Biopython is a bioinformatics library for Python providing tools to parse, manipulate, and analyze biological… astropy/astropy — Astropy is a core Python library for astronomy, providing a unified framework for astronomical data analysis,… manimcommunity/manim — Manim is a scriptable, code-driven framework designed for generating precise technical visualizations and mathematical…