Tags in Blog

GSOC

GSoC 2025 Final Blog Post - On-the-fly Analysis of WESTPA Segments using Trajectory Streaming | 26 Aug 2025
Week 10-11: Detailed Benchmarking Analysis | 26 Aug 2025
Week 8-9: Creating Test Systems for Benchmarking | 12 Aug 2025
Week 6-7: Testing with LAMMPS and NAMD and integrating into WESTPA | 22 Jul 2025
Week 4-5: Implementing Trajectory Streaming via a Python Script | 06 Jul 2025
Week 3: Attempting to Create a Trajectory Streaming Propagator in WESTPA | 25 Jun 2025
Week 1-2: First Attempt at Trajectory Streaming Using Bash Scripting | 24 Jun 2025
Introduction to Weighted Ensemble Simulations and MDAnalysis Streaming | 28 May 2025
Google Summer of Code 2025 with MDAnalysis and WESTPA | 21 May 2025

Molecular dynamics

GSoC 2025 Final Blog Post - On-the-fly Analysis of WESTPA Segments using Trajectory Streaming | 26 Aug 2025
Week 10-11: Detailed Benchmarking Analysis | 26 Aug 2025
Week 8-9: Creating Test Systems for Benchmarking | 12 Aug 2025
Week 6-7: Testing with LAMMPS and NAMD and integrating into WESTPA | 22 Jul 2025
Week 4-5: Implementing Trajectory Streaming via a Python Script | 06 Jul 2025
Week 3: Attempting to Create a Trajectory Streaming Propagator in WESTPA | 25 Jun 2025
Week 1-2: First Attempt at Trajectory Streaming Using Bash Scripting | 24 Jun 2025
Introduction to Weighted Ensemble Simulations and MDAnalysis Streaming | 28 May 2025
Google Summer of Code 2025 with MDAnalysis and WESTPA | 21 May 2025