gabboud commited on
Commit
68d87ce
·
1 Parent(s): 2e76a9e

replace deprecated explanation of design steps

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Files changed (1) hide show
  1. app.py +4 -4
app.py CHANGED
@@ -46,11 +46,11 @@ with gr.Blocks(title="RFD3 Test") as demo:
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  There are three steps to setting up a job.
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  - First, create an input specification for your generation job. This is a yaml or json file with details on targeted motifs, scaffolds and generation parameters that gets passed to RFD3's CLI as `inputs`. Check out [RFD3's documentation and tutorials](https://rosettacommons.github.io/foundry/models/rfd3/input.html) to learn how to compose this file!
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- - Second, upload a PDB file containing your target/scaffold structure to condition the generation or click `No Scaffold/Target` for unconditional generation.
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  - Third, Select the number of batches and designs per batch for your job. These are passed as CLI arguments to RFD3. Advanced CLI arguments can be added in the "Advanced Options" section. While most of these arguments can be kept at their default value, some related to the inference sampler can provide improvements for [protein-protein interaction (PPI) workflows](https://rosettacommons.github.io/foundry/models/rfd3/ppi_design_tutorial.html). Here is a list of other [CLI arguments](https://rosettacommons.github.io/foundry/models/rfd3/input.html#cli-arguments).
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- Individual jobs On ZeroGPU spaces are limited to 240 seconds for PRO users or members of an organization. Hence, make sure that you are logged in before launching a job and keep the number of designs per run manageable.
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  While the time taken significantly depends on the configuration run, here are some numbers to guide you:
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  - RFD3's PPI tutorial, designing a 190-270 aa binder for a 149 aa motif on the [human insulin receptor](https://www.rcsb.org/structure/4ZXB)
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  generated a batch of 8 designs every 60 seconds, a batch of 16 every 95 seconds.
@@ -72,14 +72,14 @@ with gr.Blocks(title="RFD3 Test") as demo:
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  # inputs from user
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  with gr.Row():
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  with gr.Column(scale=1): # Left half
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- gr.Markdown("Set up the configuration for your run through a valid yaml file. Choose the number of batches and designs per batch for your run.")
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  config_upload = gr.File(label="Config file: .yaml or .json", file_types=[".pdb", ".yaml", ".json"])
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  #config_validation_btn = gr.Button("Validate Config")
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  #config_textbox = gr.Textbox(label="Configuration status", value ="Waiting for config validation...")
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  with gr.Column(scale=1): # Right half
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- gr.Markdown("Upload your target/scaffold structure as a PDB file to condition the generation. Press 'No Scaffold/Target' if you want to run an unconditional generation.")
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  scaffold_upload = gr.File(label="Target/Scaffold PDB", file_types=[".pdb"])
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  #with gr.Row():
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  # scaffold_validation_btn = gr.Button("Validate Scaffold")
 
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  There are three steps to setting up a job.
48
  - First, create an input specification for your generation job. This is a yaml or json file with details on targeted motifs, scaffolds and generation parameters that gets passed to RFD3's CLI as `inputs`. Check out [RFD3's documentation and tutorials](https://rosettacommons.github.io/foundry/models/rfd3/input.html) to learn how to compose this file!
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+ - Second, upload a PDB file containing your target/scaffold structure to condition the generation or leave empty for unconditional generation.
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  - Third, Select the number of batches and designs per batch for your job. These are passed as CLI arguments to RFD3. Advanced CLI arguments can be added in the "Advanced Options" section. While most of these arguments can be kept at their default value, some related to the inference sampler can provide improvements for [protein-protein interaction (PPI) workflows](https://rosettacommons.github.io/foundry/models/rfd3/ppi_design_tutorial.html). Here is a list of other [CLI arguments](https://rosettacommons.github.io/foundry/models/rfd3/input.html#cli-arguments).
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+ Individual jobs On ZeroGPU spaces are limited to 240 seconds for PRO users or members of an organization. Hence, make sure that you are logged in before launching a job to avoid errors and keep the number of designs per run manageable.
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  While the time taken significantly depends on the configuration run, here are some numbers to guide you:
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  - RFD3's PPI tutorial, designing a 190-270 aa binder for a 149 aa motif on the [human insulin receptor](https://www.rcsb.org/structure/4ZXB)
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  generated a batch of 8 designs every 60 seconds, a batch of 16 every 95 seconds.
 
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  # inputs from user
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  with gr.Row():
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  with gr.Column(scale=1): # Left half
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+ #gr.Markdown("Set up the configuration for your run through a valid yaml file. Choose the number of batches and designs per batch for your run.")
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  config_upload = gr.File(label="Config file: .yaml or .json", file_types=[".pdb", ".yaml", ".json"])
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  #config_validation_btn = gr.Button("Validate Config")
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  #config_textbox = gr.Textbox(label="Configuration status", value ="Waiting for config validation...")
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  with gr.Column(scale=1): # Right half
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+ #gr.Markdown("Upload your target/scaffold structure as a PDB file to condition the generation. Press 'No Scaffold/Target' if you want to run an unconditional generation.")
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  scaffold_upload = gr.File(label="Target/Scaffold PDB", file_types=[".pdb"])
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  #with gr.Row():
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  # scaffold_validation_btn = gr.Button("Validate Scaffold")