@gnina
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gnina

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  • Stars
    star
    862
  • Global Org. Rank 16,977 (Top 6 %)
  • Registered about 9 years ago
  • Most used languages
    Python
         50.0 %
    C++
         33.3 %
    Jupyter Notebook
         16.7 %

Top repositories

1

gnina

A deep learning framework for molecular docking
C++
591
star
2

libmolgrid

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
C++
137
star
3

models

Trained caffe models
Python
75
star
4

SolTranNet

Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
Python
32
star
5

scripts

Jupyter Notebook
23
star
6

phinder

Semi-automatic identification of pharmacophore features from unbound receptor structure using gnina fragment docking
Python
4
star