Statistics for topic chemistry
RepositoryStats tracks 584,797 Github repositories, of these 174 are tagged with the chemistry topic. The most common primary language for repositories using this topic is Python (85). 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)
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
A Python software package for saddle point optimization and minimization of atomic systems.
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
A Python software package for saddle point optimization and minimization of atomic systems.
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
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
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.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
A Python software package for saddle point optimization and minimization of atomic systems.
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
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.
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.
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
datalab is a place to store experimental data and the connections between them.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
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.
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
A curated list of Python packages related to chemistry
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
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