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PySTARC
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A
examples\ttk_inhibitors\5N84\run.sh
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examples\carbonic_anhydrase_inhibitors\ca2_vd1142\submit_SLURM_single_GPU.sh
 2 1
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examples\ttk_inhibitors\5NAD\submit_SLURM_multi_GPUs.sh
 2 1
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examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_single_GPU.sh
 1 1
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examples\two_charged_spheres\analytical.py
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examples\ttk_inhibitors\5N84\submit_SLURM_multi_GPUs.sh
 2 1
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examples\carbonic_anhydrase_inhibitors\ca2_vd1142\run.sh
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examples\ttk_inhibitors\5N84\submit_SLURM_single_GPU.sh
 2 1
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examples\two_charged_spheres\run.sh
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examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\submit_SLURM_single_GPU.sh
 1 1
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examples\two_charged_spheres\submit_SLURM_single_GPU.sh
 2 1
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examples\hsp90_inhibitors\HSP90-aminopyridine\submit_SLURM_single_GPU.sh
 1 1
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pystarc\__init__.py
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examples\ttk_inhibitors\5N93\run.sh
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.codecov.yml
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.github\workflows\ci.yml
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examples\ttk_inhibitors\5N93\submit_SLURM_multi_GPUs.sh
 2 1
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examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\submit_SLURM_multi_GPUs.sh
 2 1
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examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\submit_SLURM_multi_GPUs.sh
 2 1
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examples\carbonic_anhydrase_inhibitors\ca2_vd1142\submit_SLURM_multi_GPUs.sh
 2 1