cooperative-computing-lab/awe
Accelerated Weighted Ensemble (AWE) provides a Python library for adaptive sampling of molecular dynamics.
Jupyter NotebookGPL-2.0
Issues
- 1
- 1
Add Trajectory Test Method
#6 opened by jeffkinnison - 1
Replace MSMBuilder for Clustering
#5 opened by jeffkinnison - 1
OpenMM Support
#3 opened by jeffkinnison - 0
Simple Install Script
#4 opened by jeffkinnison - 0
Update optparse to argparse
#2 opened by jeffkinnison