Statistics for topic chemistry
RepositoryStats tracks 630,049 Github repositories, of these 186 are tagged with the chemistry topic. The most common primary language for repositories using this topic is Python (91). Other languages include: Jupyter Notebook (22), C++ (14)
Stargazers over time for topic chemistry
Most starred repositories for topic chemistry (view more)
Trending repositories for topic chemistry (view more)
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Robust Molecular Structure Recognition with Image-to-Graph Generation
Robust Molecular Structure Recognition with Image-to-Graph Generation
Scikit-learn compatible library for molecular fingerprints
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Scikit-learn compatible library for molecular fingerprints
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Matbench: Benchmarks for materials science property prediction
Scikit-learn compatible library for molecular fingerprints
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
Scikit-learn compatible library for molecular fingerprints
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.
Robust Molecular Structure Recognition with Image-to-Graph Generation
Searching for structural similarities across billions of molecules in milliseconds
Scikit-learn compatible library for molecular fingerprints
train and use graph-based ML models of potential energy surfaces
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
Scikit-learn compatible library for molecular fingerprints
Scikit-learn compatible library for molecular fingerprints
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