GitHub topics: weighted-histogram-analysis
jjgoings/wham
Binless weighted histogram analysis method (WHAM) aka multi-state Bennet acceptance ratio (MBAR) with the ability to combine umbrella sampling simulations with different restraints and project onto reaction coordinates other than ones sampled at
Language: Python - Size: 6.84 KB - Last synced at: about 6 hours ago - Pushed at: about 7 years ago - Stars: 8 - Forks: 0
joabron/parallel-nanoalloys
A parallel molecular dynamics simulation algorithm for studying the thermal stability of nanoalloys.
Language: Python - Size: 129 KB - Last synced at: 7 months ago - Pushed at: about 2 years ago - Stars: 1 - Forks: 0
