NVIDIA Containers for Molecular Dynamics Packages

• VMD
• NAMD
• GROMACS
• LAMMPS
• RELION

Data Processing

• CTFFIND/Gctf
• crYOLO

2D Image Processing and 3D

• Relion (Versions: 3.1, 4.0, 5.0)
• DeepEnhancer (Version: 0.16)
• EMAN2 (Version: 2.91-gcc-9.3.0)
• CryoDRGN (Version: 3.3)