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mdforge framework: general, reproducible GROMACS MD analysis - #1

Merged

SamDozer merged 4 commits into

mainfrom

Jul 7, 2026

Merged

mdforge framework: general, reproducible GROMACS MD analysis#1
SamDozer merged 4 commits into
mainfrom
framework

Commits on Jul 7, 2026
- mdforge: foundation of the molecular-dynamics-forge framework
  
  SamDozer
  and
  claude
  committed
  5bab45f
- Port 14 more analyses to mdforge (18 total, all validated end-to-end)
  
  SamDozer
  and
  claude
  committed
  4d99d7f
- Port prolif, mmpbsa, and system-specific analyses (interface, ligand, nucleic)
  
  SamDozer
  and
  claude
  committed
  e942a33
- docs: README reflects the complete 24-analysis port
  
  SamDozer
  and
  claude
  committed
  c2baa40