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@gnina

gnina

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  1. gnina gnina Public

    A deep learning framework for molecular docking

    C++ 583 142

  2. libmolgrid libmolgrid Public

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

    C++ 137 45

Repositories

Showing 7 of 7 repositories
  • gnina Public

    A deep learning framework for molecular docking

    gnina/gnina’s past year of commit activity
    C++ 583 Apache-2.0 142 45 1 Updated Aug 16, 2024
  • libmolgrid Public

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

    gnina/libmolgrid’s past year of commit activity
    C++ 137 Apache-2.0 45 19 1 Updated Jul 22, 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 3 2 0 0 Updated Jul 13, 2024
  • scripts Public
    gnina/scripts’s past year of commit activity
    Jupyter Notebook 23 BSD-3-Clause 83 5 0 Updated Oct 30, 2023
  • models Public

    Trained caffe models

    gnina/models’s past year of commit activity
    Python 74 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 32 Apache-2.0 14 0 0 Updated Jul 6, 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 18,956 0 0 Updated Jun 20, 2018

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