The official sources for the RDKit library
Les fonctionnalités principales de rdkit/rdkit sont : Scientific Computing, General Tools.
Les alternatives open-source à rdkit/rdkit incluent : 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…
Biopython is a bioinformatics library for Python providing tools to parse, manipulate, and analyze biological sequences, molecular structures, and phylogenetic trees. It serves as a biological sequence parser for genomic and proteomic data across multiple industry-standard file formats and acts as an interface for querying biological data and citations from NCBI Entrez repositories. The project distinguishes itself through specialized toolkits for protein structure analysis and phylogenetic tree construction. It includes a protein structure analyzer for processing PDB and mmCIF files to calcu
Astropy is a core Python library for astronomy, providing a unified framework for astronomical data analysis, coordinate and time computations, and physical constants and unit handling. It is designed as a standard tool for the astronomy community, enabling consistent reading, processing, and visualization of FITS files and ASCII tables through a modular subpackage system that shares common interfaces and conventions. The library distinguishes itself through broad interoperability across astronomy software, establishing shared protocols for data exchange and collaboration. It includes a coord
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
Parsers and algorithms for computational chemistry logfiles