narubi2

Pinned Repositories

mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Language:Python1.3k 42 2.3k658
PMDMf
Language:Python0 0 00
deepQM
Language:Python27 4 36
spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Language:Python4.5k 99 8.6k2.3k
gmx_MMPBSA
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
Language:Python232 9 47868