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A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.
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Improved Prediction of the Regioselectivity of Electrophilic Aromatic Substitutions. RegioSQM20 predicts the regioselectivity of electrophilic aromatic substitution reactions in heteroaromatic systems. The reactive sites are identified using semiempirical quantum mechanical calculations based on the open source software package xTB. Use by pasting a SMILES code from ChemDraw to get the regioselective prediction, for example using this SMILES.
CBMOS is a GPU-enabled Python framework for the numerical study of center-based models. Cell-based models are becoming increasingly popular for applications in developmental biology.