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Update README for PSAIA config file's customization of filepaths
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README.md

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@@ -380,6 +380,11 @@ cd "$MY_LOCAL"/PSAIA_1.0_source/bin/linux
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./psa/psa
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```
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**Finally, substitute your absolute filepath for DeepInteract**
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(i.e., where on your local storage device you downloaded the
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repository to) **anywhere DeepInteract's local repository is
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referenced in `project/datasets/builder/psaia_config_file_input.txt`.**
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## Training
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### Download training and cross-validation DGLGraphs

project/datasets/builder/psaia_config_file_casp_capri.txt

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project/datasets/builder/psaia_config_file_dips.txt

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project/datasets/builder/psaia_config_file_input.txt

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@@ -5,14 +5,14 @@ z_slice: 0.25
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r_solvent: 1.4
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write_asa: 0
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calc_rasa: 0
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standard_asa: /home/alexm/Repositories/Personal_Repositories/DeepInteract/project/datasets/builder/psaia_natural_asa.asa
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standard_asa: /home/user/Repositories/DeepInteract/project/datasets/builder/psaia_natural_asa.asa
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calc_dpx: 0
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calc_cx: 1
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cx_threshold: 10
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cx_volume: 20.1
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calc_hydro: 0
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hydro_file: /home/alexm/Repositories/Personal_Repositories/DeepInteract/project/datasets/builder/psaia_hydrophobicity.hpb
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radii_filename: /home/alexm/Repositories/Personal_Repositories/DeepInteract/project/datasets/builder/psaia_chothia.radii
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hydro_file: /home/user/Repositories/DeepInteract/project/datasets/builder/psaia_hydrophobicity.hpb
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radii_filename: /home/user/Repositories/DeepInteract/project/datasets/builder/psaia_chothia.radii
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write_xml: 0
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write_table: 1
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output_dir: /home/alexm/Repositories/Personal_Repositories/DeepInteract/project/datasets/Input/interim/external_feats/PSAIA/INPUT
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output_dir: /home/user/Repositories/DeepInteract/project/datasets/Input/interim/external_feats/PSAIA/INPUT

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