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gnina

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  1. gnina gnina Public

    A deep learning framework for molecular docking

    C++ 634 147

  2. libmolgrid libmolgrid Public

    Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

    C++ 144 48

Repositories

Showing 7 of 7 repositories
  • gnina Public

    A deep learning framework for molecular docking

    gnina/gnina’s past year of commit activity
    C++ 634 Apache-2.0 147 54 1 Updated Nov 22, 2024
  • libmolgrid Public

    Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

    gnina/libmolgrid’s past year of commit activity
    C++ 144 Apache-2.0 48 19 1 Updated Oct 4, 2024
  • phinder Public

    Semi-automatic identification of pharmacophore features from unbound receptor structure using gnina fragment docking

    gnina/phinder’s past year of commit activity
    Python 5 3 0 0 Updated Sep 10, 2024
  • scripts Public
    gnina/scripts’s past year of commit activity
    Jupyter Notebook 24 BSD-3-Clause 84 5 0 Updated Oct 30, 2023
  • models Public

    Trained caffe models

    gnina/models’s past year of commit activity
    Python 82 23 8 0 Updated Sep 18, 2023
  • SolTranNet Public

    Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility

    gnina/SolTranNet’s past year of commit activity
    Python 34 Apache-2.0 14 0 0 Updated Jul 7, 2021
  • caffe Public Forked from BVLC/caffe

    Caffe: a fast open framework for deep learning.

    gnina/caffe’s past year of commit activity
    C++ 1 18,933 0 0 Updated Jun 20, 2018

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