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gnina

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  1. gnina gnina Public

    A deep learning framework for molecular docking

    C++ 985 213

  2. libmolgrid libmolgrid Public

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

    C++ 156 59

Repositories

Showing 8 of 8 repositories
  • OMTRA Public

    A Multi-Task Generative model for Structure-Based Drug Design

    gnina/OMTRA's past year of commit activity
    Jupyter Notebook 71 Apache-2.0 11 5 3 Updated Sep 28, 2026
  • models Public

    Trained caffe models

    gnina/models's past year of commit activity
    Python 106 Apache-2.0 29 9 0 Updated Sep 18, 2026
  • gnina Public

    A deep learning framework for molecular docking

    gnina/gnina's past year of commit activity
    C++ 985 Apache-2.0 213 22 2 Updated Jun 29, 2026
  • libmolgrid Public

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

    gnina/libmolgrid's past year of commit activity
    C++ 156 Apache-2.0 59 22 2 Updated Nov 3, 2025
  • 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 11 6 0 0 Updated Sep 10, 2024
  • scripts Public
    gnina/scripts's past year of commit activity
    Jupyter Notebook 28 BSD-3-Clause 84 5 0 Updated Oct 30, 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 41 Apache-2.0 15 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++ 2 18,688 0 0 Updated Jun 20, 2018

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