PhD chemist @ Imperial College London
ML, automation, and prototyping for chemical research
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Imperial College London
Highlights
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Popular repositories Loading
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automated_halogenation_of_pharmaceuticals
automated_halogenation_of_pharmaceuticals PublicCode from "An automated platform for tailored late-stage halogenation of pharmaceuticals"
Jupyter Notebook
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continuous_condition_optimiser
continuous_condition_optimiser PublicScreening framework for chemical featurisation methods from SMILES and machine learning model architectures to predict optimum ranges of continuous reaction parameters from experimental datasets.
Python
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lead_optimisation_docking_screen
lead_optimisation_docking_screen PublicComputational workflow for Autodock Vina binding simulations and multi-objective Bayesian optimisation for target binding and off-target selectivity
Python
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