Software
Libraries
pyxmolpp2
A C++ python package for MD trajectories processing.
[Github] [PyPI]
bionmr-utils
Collection of our generic scripts.
[Github] [PyPI]
amber-runner
A convenience library to run Amber MD simulations
[Github] [PyPI]
remote-runner
Generic in-house solution for remote batch task processing
Projects
| 2020-pb6 | Assemble and run large scale full atom MD simulations of pb6 |
| 2020-Nucleosome | Nucleosome |
| 2019-Grb2-Sos1 | Force filed parameters and run scripts |
| 2019-GB1-ESR | Force filed parameters and run scripts |