gnina/SolTranNet

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Language
Python
License
Apache License 2.0
Created almost 4 years ago
Updated over 3 years ago

gnina/SolTranNet

gnina

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

gnina

A deep learning framework for molecular docking

libmolgrid

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

models

Trained caffe models

scripts

Jupyter Notebook

phinder

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