Protein simulation and data analysis
Tensorflow, cython-0.23.4, mdtraj-1.5.1, numpy-1.10.2, scipy-0.13.3, MDAnalysis-0.12.1, scikit-learn-0.17.0
Run a docker container from the image built by the Dockerfile:
docker build -t phiphy/protein .
docker run -it --name protein -v /home/bdslss15-xpjs/simple-examples:/simple-examples -v /home/bdslss15-xpjs/protein:/protein -v /damsl/projects/MD/Simulations/bpti:/protein-data phiphy/protein