Spaces:
Runtime error
Runtime error
Fix
Browse files
app.py
CHANGED
@@ -194,6 +194,9 @@ def main():
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)
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if uploaded_file is None:
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with st.expander("Don't know what to upload? Try these examples", expanded=True):
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with open('./data/examples/7DK2_AB_C.pdb', 'r') as f:
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st.download_button(
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@@ -209,11 +212,6 @@ def main():
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st.text('Please upload the downloaded PDB file to run the demo.')
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if 'submit' not in st.session_state:
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st.session_state.submit = False
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if 'done' not in st.session_state:
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st.session_state.done = False
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# Step 1.2: Retrieve uploaded PDB
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if uploaded_file is not None:
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pdb_path = os.path.join(tempdir_path, 'structure.pdb')
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@@ -241,7 +239,8 @@ def main():
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if docking:
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st.warning('No antibodies detected. Will try to run docking (very slow).')
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form = st.form('design_form')
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with form:
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if H_chain is None and L_chain is None:
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# Antigen only
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@@ -293,13 +292,26 @@ def main():
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if not GPU_AVAILABLE:
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st.warning('No GPU available. Sampling might be very slow.')
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st.session_state.submit = st.session_state.submit or submit
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if submit:
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st.session_state.done = False
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# Step 3: Prepare configuration and run design
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if uploaded_file is not None and st.session_state.submit:
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config, config_path = get_config(
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save_dir = tempdir_path,
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mode = design_mode,
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@@ -307,12 +319,6 @@ def main():
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num_samples = num_designs,
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)
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with right_col:
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result_molecule_display = st.empty()
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result_select_widget = st.empty()
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result_table_display = st.empty()
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result_download_btn = st.empty()
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output_display = st.empty()
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if not st.session_state.done:
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run_design(
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pdb_path = renum_path,
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)
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if uploaded_file is None:
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st.session_state.submit = False
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st.session_state.done = False
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with st.expander("Don't know what to upload? Try these examples", expanded=True):
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with open('./data/examples/7DK2_AB_C.pdb', 'r') as f:
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st.download_button(
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)
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st.text('Please upload the downloaded PDB file to run the demo.')
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# Step 1.2: Retrieve uploaded PDB
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if uploaded_file is not None:
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pdb_path = os.path.join(tempdir_path, 'structure.pdb')
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if docking:
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st.warning('No antibodies detected. Will try to run docking (very slow).')
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# form = st.form('design_form')
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form = st.container()
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with form:
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if H_chain is None and L_chain is None:
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# Antigen only
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if not GPU_AVAILABLE:
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st.warning('No GPU available. Sampling might be very slow.')
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btn_placeholder = st.empty()
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submit = btn_placeholder.button('Run', key="run_btn_real")
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st.session_state.submit = st.session_state.submit or submit
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if submit:
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st.session_state.done = False
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btn_placeholder.empty()
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# Step 3: Prepare configuration and run design
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if uploaded_file is not None and st.session_state.submit:
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with left_col:
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output_display = st.empty()
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output_display.code('[INFO] Your job has been submitted. Please wait...\n')
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with right_col:
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result_molecule_display = st.empty()
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result_select_widget = st.empty()
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result_table_display = st.empty()
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result_download_btn = st.empty()
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config, config_path = get_config(
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save_dir = tempdir_path,
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mode = design_mode,
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num_samples = num_designs,
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)
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if not st.session_state.done:
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run_design(
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pdb_path = renum_path,
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