EDG: Ensembles from Density Generator

Guiding sampling of conformational ensembles with density information.

Installation

Install using pixi.

# install pixi
curl -fsSL https://pixi.sh/install.sh | sh
git clone https://github.com/fraser-lab/EDG.git
cd EDG
pixi install

Name		Name	Last commit message	Last commit date
Latest commit History 247 Commits
configs		configs
edg		edg
scripts		scripts
tests		tests
.gitattributes		.gitattributes
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
analyze_parameter_sweep.py		analyze_parameter_sweep.py
parameter_sweep.sh		parameter_sweep.sh
pixi.lock		pixi.lock
pyproject.toml		pyproject.toml