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g_mmpbsa

MM-PBSA method for GROMACS. For full description, please visit homepage:

gmx_mmpbsa

gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

gmx_tutorials_livecoms

LiveCoMS GROMACS Tutorials Paper

gmxtools

tools for GROMACS

gnina

A deep learning framework for molecular docking

gpdock

an effective tool for the docking of metalloproteins

grank

Source code for G-RANK

graphein

Protein Graph Library

graphinity

Graphinity: Equivariant Graph Neural Network Architecture for Predicting Change in Antibody-Antigen Binding Affinity

graphormer

Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as material design, drug discovery, etc.

graphsol

Code of our JC paper: "Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted contact map"

h3-opt

haddock-antibody-antigen

The repository contains material to run the HADDOCK antibody-antigen modelling protocol

haddock-antibody-docker

Docker container for haddock antibody protocol

haddock3

The official repo of the new modular BioExcel2 version of HADDOCK

hebo

Bayesian optimisation library developped by Huawei Noah's Ark Library

helix_gan

Prepared source code for paper titled "HelixGAN a deep learning methodology for conditional de novo design of α-helix structures"

helixfold

hello-world

high-ppi

hom-complex-ml

hssp

Create DSSP and HSSP files

icodon

iCodon customizes gene expression based on the codon composition

igfold

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

iglm

Generative Language Modeling for Antibody Design

igseq

Code for IgSeq data analysis

igseqanalysis

igvae

A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.

immunebuilder

Predict the structure of immune receptor proteins

immunoglobulin_design