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PySTARC
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Name
Complexity
Churn
Issues
A
examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh
 3 -
A
examples\barnase_barstar\submit_shards.sh
 2 -
A
pystarc\structures\pqr_io.py
24 8 -
A
pystarc\transforms\quaternion.py
10 4 -
A
pystarc\forces\multipole_farfield.py
13 5 -
A
examples\two_charged_spheres\convergence.py
0 5 -
A
examples\ttk_inhibitors\5N7V\run.sh
 1 -
A
examples\ttk_inhibitors\3H9F\run.sh
 1 -
A
examples\hsp90_inhibitors\HSP90-quinazoline_6EI5\run.sh
 1 -
A
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_single_GPU.sh
 1 1
A
examples\carbonic_anhydrase_inhibitors\ca2_vd1142\submit_SLURM_single_GPU.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\hsp90_inhibitors\HSP90-aminopyridine\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\hsp90_inhibitors\HSP90-aminopyridine\submit_SLURM_single_GPU.sh
 1 1
A
examples\trypsin_benzamidine\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\thrombin_thrombomodulin\submit_SLURM_single_GPU.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\hsp90_inhibitors\HSP90-indazole_5LNZ\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\hsp90_inhibitors\HSP90-indazole_5LNZ\submit_SLURM_single_GPU.sh
 1 1