Statistics for topic chemistry
RepositoryStats tracks 518,991 Github repositories, of these 158 are tagged with the chemistry topic. The most common primary language for repositories using this topic is Python (77). Other languages include: Jupyter Notebook (20), C++ (12)
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.
Universal cheminformatics toolkit, utilities and database search tools
Robust Molecular Structure Recognition with Image-to-Graph Generation
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
A set of tools for getting the most from your geochemical data.
Universal cheminformatics toolkit, utilities and database search tools
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
A library of free open source icons for science illustrations in biology and chemistry
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions"...
Universal cheminformatics toolkit, utilities and database search tools
Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
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.
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
A curated list of Python packages related to chemistry
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
A collection of Nerual Network Models for chemistry
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.
A curated list of online chemical engineering education resources
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
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.
An interactive Periodic Table of Elements app for the console!
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
An interactive Periodic Table of Elements app for the console!
A collection of Nerual Network Models for chemistry
Chemistry support for Obsidian. Rendering SMILES strings into chemistry structures.