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Issues
A
examples\beta_cyclodextrin_guests\BCD_1-butanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\run.sh
 1 -
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examples\carbonic_anhydrase_inhibitors\ca13_vd1209\run.sh
 3 -
A
examples\beta_cyclodextrin_guests\BCD_aspirin\submit_SLURM_single_GPU.sh
 1 1
A
.github\workflows\ci.yml
 4 -
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examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_single_GPU.sh
 1 1
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\beta_cyclodextrin_guests\BCD_1-propanol\run.sh
 1 -
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examples\carbonic_anhydrase_inhibitors\ca13_vd1126\run.sh
 3 -
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\submit_SLURM_single_GPU.sh
 1 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\submit_SLURM_single_GPU.sh
 2 1
A
examples\beta_cyclodextrin_guests\BCD_1-propanol\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\submit_SLURM_single_GPU.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1269\submit_SLURM_single_GPU.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1269\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1209\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh
 3 -
A
.codecov.yml
 1 -
A
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_multi_GPUs.sh
 2 1