frank-stonybrook/Meld_pbc

Latest Release

We are not yet building the release version automatically.

Testing

Github master:

Github dev:

MELD

Modeling with limited data

Installation

The easiest way to install MELD is using Anaconda packages from the omnia channel:

conda config --add channels omnia
conda install meld

Building from Scratch

MELD requires a CUDA compatible GPU.

• ambermini or ambertools
• netcdf4
• mpi4py
• openmm
• CUDA Toolkit

To install:

python setup.py install

Documentation

See the project website for full documentation.