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  1. kalininalab/alphafold_non_docker kalininalab/alphafold_non_docker Public

    AlphaFold2 non-docker setup

    Shell 350 121

  2. gnina/gnina gnina/gnina Public

    A deep learning framework for molecular docking

    C++ 661 151

  3. smu-tao-group/ADMET_XGBoost smu-tao-group/ADMET_XGBoost Public

    Accurate ADMET Prediction with XGBoost

    Python 32 9

  4. kaivamannam/clinicalnlp-ade kaivamannam/clinicalnlp-ade Public

    Clinical NLP concept extraction of ADEs in the 2018 n2c2 Adverse Drug Events and Medication Extraction (Track 2). Includes data preprocessing, model training/evaluation scripts.

    Python 16 8

  5. SeonghwanSeo/BBAR SeonghwanSeo/BBAR Public

    Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)

    Jupyter Notebook 28 5

  6. qlora qlora Public

    Forked from artidoro/qlora

    QLoRA: Efficient Finetuning of Quantized LLMs

    Jupyter Notebook