Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions
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Jul 15, 2025 - Python
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biocatalysis
Here are 7 public repositories matching this topic...
Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions
chemistry synthesis transformer-architecture biocatalysis retrosynthesis retrosynthesis-reaction-pathway
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Jul 2, 2024 - Python
📖 - Formal definition of EnzymeML in various schema languages as well as APIs in various programming languages
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Sep 22, 2025
🔬 mtphandler is Python package for processing, enriching, and converting microtiter plate data into standardized EnzymeML time-course data, ready for data science
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Jan 14, 2026 - Python
Sonia Rodríguez Giordano's group. Biocatalysis and biotransformations. Facultad de Química - Universidad de la República (Montevideo, Uruguay).
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Jun 6, 2023
Python package for isotope pattern deconvolution in mass spectrometry. Determines relative amounts of isotope-labeled species (H/D, ¹³C, ¹⁸O, etc.) from MS data using least-squares optimization.
python chemistry numpy biochemistry mass-spectrometry deconvolution isotope-labeling-experiments deuterium biocatalysis
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Jan 5, 2026 - Python
📕 - Kinetic modeling workflow
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Jan 8, 2024 - Jupyter Notebook
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