Pinned Repositories
caffe
Caffe: a fast open framework for deep learning.
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
phinder
Semi-automatic identification of pharmacophore features from unbound receptor structure using gnina fragment docking
scripts
SolTranNet
Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
gnina's Repositories
gnina/gnina
A deep learning framework for molecular docking
gnina/libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
gnina/models
Trained caffe models
gnina/SolTranNet
Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
gnina/scripts
gnina/phinder
Semi-automatic identification of pharmacophore features from unbound receptor structure using gnina fragment docking
gnina/caffe
Caffe: a fast open framework for deep learning.