Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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Mar 4, 2025 - C++
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chemical-data
Here are 8 public repositories matching this topic...
Scikit-learn compatible library for molecular fingerprints
python machine-learning bioinformatics chemistry cheminformatics scikit-learn chemoinformatics chemical-data chemical-toolbox
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Jun 12, 2025 - Python
Always hungry SDF chemical file format parser with many output formats
java cli parser database neo4j cheminformatics docker-image jar data-structures drugbank sdf cypher chemical-elements periodic-table parsers chemical-data chebi cvme sdf-files molecularentity
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Aug 19, 2024 - Java
The use of AI/ML to classify canine diseases based on chemical tests performed in the College of Vet. at the University of Saskatchewan.
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Apr 30, 2024 - Jupyter Notebook
Official implementation of the EACL Findings 2024 paper: Chem-FINESE: Validating Fine-Grained Few-shot Entity Extraction through Text Reconstruction
transformers pytorch information-extraction datasets reconstruction chemical-data few-shot few-shot-learning constrastive-learning low-resource-nlp large-language-models chemical-information-extraction
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Mar 18, 2024 - Python
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Nov 20, 2019 - Rust
chemical viewer
chemistry cheminformatics pharmacology computational-chemistry drug-discovery drugbank rdkit chemoinformatics chemical-formulas pharma chemical-data sdf-files drug-development molecule-visualization smiles-strings medicinal-chemistry molecule-viewer chemistry-database sdf-reader sdf-viewer
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May 20, 2024 - C++
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