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A
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\run.sh
 1 -
F
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\setup.py
159 8 80
A
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\beta_cyclodextrin_guests\BCD_aspirin\run.sh
 1 -
F
examples\beta_cyclodextrin_guests\BCD_aspirin\setup.py
159 8 80
A
examples\beta_cyclodextrin_guests\BCD_aspirin\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_aspirin\submit_SLURM_single_GPU.sh
 1 1
A
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\run.sh
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F
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\setup.py
159 8 80
A
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_single_GPU.sh
 1 1
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\run.sh
 1 -
F
examples\beta_cyclodextrin_guests\BCD_tertbutanol\setup.py
159 8 80
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh
 3 -
F
examples\carbonic_anhydrase_inhibitors\ca13_azm\setup.py
159 9 80
A
examples\carbonic_anhydrase_inhibitors\ca13_azm\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca13_azm\submit_SLURM_single_GPU.sh
 2 1