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gnina's repositories

A deep learning framework for molecular docking

Language:C++Apache-2.0583 30 205

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

Language:C++Apache-2.0137 9 84

Trained caffe models

Language:Python74 5 28

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

Language:PythonApache-2.032 2 3

Language:Jupyter NotebookBSD-3-Clause23 5 23

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

Language:Python3 10

Caffe: a fast open framework for deep learning.

Language:C++NOASSERTION1 40