Statistics for topic chemistry
RepositoryStats tracks 598,732 Github repositories, of these 179 are tagged with the chemistry topic. The most common primary language for repositories using this topic is Python (88). Other languages include: Jupyter Notebook (22), C++ (14)
Stargazers over time for topic chemistry
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Curated list of known efforts in materials informatics, i.e. in modern materials science
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Curated list of known efforts in materials informatics, i.e. in modern materials science
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
A library of free open source icons for science illustrations in biology and chemistry
Downloads USPTO patents and finds molecules related to keyword queries
Downloads USPTO patents and finds molecules related to keyword queries
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
Matbench: Benchmarks for materials science property prediction
A collection of Nerual Network Models for chemistry
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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
train and use graph-based ML models of potential energy surfaces
Self-contained, well-tested, well-documented Analytical Solutions of Quantum Mechanical Equations.
A Python software package for saddle point optimization and minimization of atomic systems.
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
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
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
Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
A collection of Nerual Network Models for chemistry
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