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genomepy

genes and genomes at your fingertips

genomics-in-the-cloud

Source code and related materials for the O'Reilly book

genui

The backend services of the GenUI framework, which provides implementation of a REST API and GUI for molecular generation, QSAR modelling and chemical space visualization.

genui-docker

A repository to build and deploy GenUI docker images. GenUI is a collection of web services for interactive molecular generation, QSAR modelling and chemical space visualization.

genui-gui

GenUI frontend application. It provides a GUI to the GenUI REST API web services.

ggsashimi

Command-line tool for the visualization of splicing events across multiple samples

gmx

Simple checkpointed Python scripting framework for Gromacs

gmxapi

Gromacs API

gnina

A deep learning framework for molecular docking

gnina-1.0

Paper for release

google-research

Google AI Research

gpu-jupyter

Leverage the flexibility of Jupyterlab through the power of your NVIDIA GPU to run your code from Tensorflow and Pytorch in collaborative notebooks on the GPU.

gr-predictor

gr_metrics

gradio

Create UIs for prototyping your machine learning model in 3 minutes

graph-neural-networks-for-drug-discovery

graphdti

graphinvent

Graph neural networks for molecular design.

graphml-tutorials

Tutorials on Machine Learning for Graphs

grcalculator

grein

GREIN : GEO RNA-seq Experiments Interactive Navigator

grmf

This repo holds the code and data for my 2016 paper that was published in the TCBB journal (IEEE)

gromacs_py

Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a pdb file, create the simulation system (box, add water and ions) and run minimisation, equilibration and production run.

gromacswrapper

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x, all with the same Python code) into python scripts.

gseapy

Gene Set Enrichment Analysis in Python

guacamol

Benchmarks for generative chemistry

handson-ml

도서 "핸즈온 머신러닝"의 예제와 연습문제를 담은 주피터 노트북입니다.

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

herg-ml

herg_chembl_jcim

RDKit code for the JCIM article