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1. covid_moonshot covid_moonshot Public

   Cheminformatics based project that aims to assess the diversity of the known inhibitors of SarsCov-2 proteases taken from COVID Moonshot project.

   Python 1 1

2. EnzymeClassification EnzymeClassification Public

   The objective of this project was to construct LSTM and GRU binary classifier models that could predict the class of input enzyme sequences.

   Python 1

3. data_curation data_curation Public

   Small Molecule Data Curation Dashboard - LLM-driven platform that transforms unstructured chemical and biological data into machine-learning-ready datasets for drug discovery. Combines prompt engin…

   Python

4. AccelStab/AccelStab AccelStab/AccelStab Public

   This package utilises the Šesták–Berggren equation alongside the Arrhenius equation to make a simple and consistent way for a user to carry out the calculations and predictions required by accelera…

   R 4