ashesh6810 / Diff-transformer-MD

Diffusion+MD

Ashesh: Diffusion+MD

This is the pilot code for experimenting stable diffusion model for generating MD trajectory

install conda

Go to https://docs.conda.io/en/latest/miniconda.html
Then download proper installer for your OS
bash [proper installer]

Install

conda env create --file=environments.yml

MD Diffusion

python main_md.py

Dataset

https://drive.google.com/drive/folders/1FawjldF4ZslwzdzaNXaa42s5wG3vrgwd?usp=sharing

MD Dataset

https://drive.google.com/drive/folders/1SfYbW-jTnvWkR93am-c3PyumSZo1AQ9E?usp=sharing