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  1. tox_21_qsar tox_21_qsar Public

    Descriptive analysis and QSAR modelling for tox_21 datasets

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  2. example-conda-environment example-conda-environment Public

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    An example Binder repository that contains an environment.yml file

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  3. caismd_qsar_2024 caismd_qsar_2024 Public

    Material for the CAiSMD 2024 Hands-on Session: Exploring Antimalarial Drug Discovery Through Cheminformatics and QSAR modeling

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  4. LLMs-from-scratch LLMs-from-scratch Public

    Forked from rasbt/LLMs-from-scratch

    Implementing a ChatGPT-like LLM in PyTorch from scratch, step by step

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  5. qsar_w_gnns qsar_w_gnns Public

    A project to train and explain GNN models

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