Theorical yield calculator to acethysalici acid's synthesis
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Jul 11, 2022 - Python
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organic-synthesis
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OS-MSWGBM: Intelligent Analysis of Organic Synthesis Based on Multiscale Subtraction Weighted Network and LightGBM
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Jun 7, 2025 - Jupyter Notebook
Contains all the code to replicate the experiments and results described in the paper: "HHCat-GNet: a Human-Interpretable GNN Tool for Ligand Optimization in Asymmetric Catalysis"
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Mar 26, 2025 - Python
Retrosynthetic analysis and scoring
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Feb 12, 2026 - Python
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