All Git Users → bio-phys

2 open source projects by bio-phys

[ Open user page on Github ]

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

✭ 17

python jupyter-notebook science molecular-dynamics

Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

✭ 64

python shell Makefile cli benchmark simulation molecular-dynamics computational-chemistry high-performance-computing namd gromacs

1-2 of 2 user projects