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PySTARC
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Issues
A
examples\ttk_inhibitors\5N93\submit_SLURM_single_GPU.sh
 2 1
A
examples\ttk_inhibitors\3H9F\run.sh
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examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\run.sh
 1 -
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examples\ttk_inhibitors\3H9F\submit_SLURM_multi_GPUs.sh
 2 1
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examples\two_charged_spheres\convergence.py
0 5 -
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examples\ttk_inhibitors\5LJJ\run.sh
 1 -
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examples\beta_cyclodextrin_guests\BCD_aspirin\submit_SLURM_single_GPU.sh
 1 1
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examples\ttk_inhibitors\5LJJ\submit_SLURM_multi_GPUs.sh
 2 1
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examples\ttk_inhibitors\5N84\submit_SLURM_multi_GPUs.sh
 2 1
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examples\ttk_inhibitors\5N7V\run.sh
 1 -
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.codecov.yml
 1 -
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examples\ttk_inhibitors\5N7V\submit_SLURM_multi_GPUs.sh
 2 1
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examples\ttk_inhibitors\5N84\submit_SLURM_single_GPU.sh
 2 1
A
pystarc\hydrodynamics\mc_hydro_radius.py
16 3 -
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pystarc\global_defs\defaults.py
 2 -
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pystarc\global_defs\constants.py
 8 -
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examples\two_charged_spheres\run.sh
 5 -
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examples\ttk_inhibitors\5N93\run.sh
 1 -
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\submit_SLURM_multi_GPUs.sh
 2 1
A
examples\carbonic_anhydrase_inhibitors\ca2_vd1142\submit_SLURM_multi_GPUs.sh
 2 1