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GouldGroup's repositories

This repository contains setup instructions and the notebooks for the AI in drug discovery workshops

Language:Jupyter Notebook1100

Synthetic data generation, processing and model training for predicting lipid phase behaviour

Language:PythonMIT300

This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.

Language:Jupyter NotebookMIT1100

Calculation of interatomic interactions in molecular structures

Language:PythonGPL-3.0100

This online repository hosts the AI models, Python code and other relevant files for DDI MLP, DILI-c MLP and DILI-s MLP.

Language:Jupyter NotebookAGPL-3.0000

This repository contains the onboarding resources and exercises that are recommended for when you join the Gould Group.

MIT000