Compute force-field energy terms (bond/LJ/Coulomb), run energy minimization, and QC MD/homology models (RMSD, RMSF, Ramachandran) in NumPy. Use for force-field, minimization, or homology/docking validation.
Compute force-field energy terms (bond/LJ/Coulomb), run energy minimization, and QC MD/homology models (RMSD, RMSF, Ramachandran) in NumPy. Use for force-field, minimization, or homology/docking validation.