Statistics for topic cheminformatics
RepositoryStats tracks 518,991 Github repositories, of these 81 are tagged with the cheminformatics topic. The most common primary language for repositories using this topic is Python (42). Other languages include: Jupyter Notebook (16)
Stargazers over time for topic cheminformatics
Most starred repositories for topic cheminformatics (view more)
Trending repositories for topic cheminformatics (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
A lightweight python-only library for reading and writing SMILES strings
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
A lightweight python-only library for reading and writing SMILES strings
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.
Universal cheminformatics toolkit, utilities and database search tools
A lightweight python-only library for reading and writing SMILES strings
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
SELFormer: Molecular Representation Learning via SELFIES Language Models
A lightweight python-only library for reading and writing SMILES strings
Universal cheminformatics toolkit, utilities and database search tools
A curated list of online chemical engineering education resources
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.
Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Searching for structural similarities across billions of molecules in milliseconds
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
Chemistry support for Obsidian. Rendering SMILES strings into chemistry structures.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
A curated list of online chemical engineering education resources
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
Searching for structural similarities across billions of molecules in milliseconds
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 tool for creating Quantitative Structure Property Relationship (QSPR) models.
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
Chemistry support for Obsidian. Rendering SMILES strings into chemistry structures.
SELFormer: Molecular Representation Learning via SELFIES Language Models