These were generated by the CUDA build (64-bit Linux, Fedora 40, gcc 10.2, Boost 1.83, CUDA toolkit 12.4, Python 3).
See also:
| [+] | Name | Runtime (s) | State | Delta |
|---|---|---|---|---|
| assess_dope.py | 0.48 | OK | ||
| brownian_statistics.py | 0.26 | OK | ||
| cg_pdb.py | 0.50 | OK | ||
| charmm_forcefield.py | 0.66 | OK | ||
| charmm_forcefield_verbose.py | 0.61 | OK | ||
| load_protein_restrain_bonds.py | 0.53 | OK | ||
| markers.py | 0.44 | OK | ||
| molecular_hierarchy.py | 0.79 | OK | ||
| rigid_brownian_dynamics.py | 0.52 | OK | ||
| score_protein_with_ligand.py | 7.75 | OK | ||
| structure_from_sequence.py | 0.37 | OK | ||
| dope_and_excluded_volume.cpp | 0.27 | OK | ||
| edit_molecular_hierarchy.py | 0.56 | OK | ||
| multiresolution.py | 0.89 | OK | ||
| multistate.py | 0.49 | OK | ||
| charmm_topology.py | 0.36 | OK | ||
| Diffusion_decorator.py | 0.36 | OK |
