Statistics for topic chemistry
RepositoryStats tracks 615,808 Github repositories, of these 185 are tagged with the chemistry topic. The most common primary language for repositories using this topic is Python (90). Other languages include: Jupyter Notebook (22), C++ (14)
Stargazers over time for topic chemistry
Most starred repositories for topic chemistry (view more)
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A Python software package for saddle point optimization and minimization of atomic systems.
Robust Molecular Structure Recognition with Image-to-Graph Generation
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
A Python software package for saddle point optimization and minimization of atomic systems.
Robust Molecular Structure Recognition with Image-to-Graph Generation
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Scikit-learn compatible library for molecular fingerprints
Python version of the amazing Reaction Mechanism Generator (RMG).
A curated list of Cheminformatics libraries and software.
一个基于中国普通高中教科书的化学笔记项目🧪A chemistry note project based on Chinese high school textbooks
Scikit-learn compatible library for molecular fingerprints
A Python software package for saddle point optimization and minimization of atomic systems.
An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and material science.
Python version of the amazing Reaction Mechanism Generator (RMG).
In-browser falling-sand simulation game with over 500 elements and thousands of reactions.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and material science.
LLM Agent that leverages cheminformatics tools to provide informed responses.
LLM Agent that leverages cheminformatics tools to provide informed responses.
Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
A library of free open source icons for science illustrations in biology and chemistry
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
A curated list of Python packages related to chemistry
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Scikit-learn compatible library for molecular fingerprints
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
An interactive Periodic Table of Elements app for the console
Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
一个基于中国普通高中教科书的化学笔记项目🧪A chemistry note project based on Chinese high school textbooks