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import sys
import warnings
import subprocess
import argparse
import json
import pandas as pd
import gradio as gr
import datamol as dm
from rdkit import RDLogger
from typing import Dict, Any, Optional
from transformers import GenerationConfig
os.environ["TOKENIZERS_PARALLELISM"] = "false"
warnings.filterwarnings("ignore", message="DEPRECATION WARNING: please use MorganGenerator")
RDLogger.DisableLog('rdApp.*')
from boring_utils.utils import cprint, tprint, get_device
from boring_utils.helpers import DEBUG
# ==============================
# Config
# ==============================
parser = argparse.ArgumentParser()
parser.add_argument('--model_path', type=str, default="checkpoint/fraglm_llama_240710/checkpoint-500000", help='Path to the model')
parser.add_argument('--tokenizer_path', type=str, default="tokenizer/fraglm_2406_bpe_8k.json", help='Path to the model')
args = parser.parse_args()
HF_SPACE = os.getenv('HF_SPACE', False)
SHARE_SPACE = HF_SPACE
REQUIRE_EMAIL = os.getenv('REQUIRE_EMAIL', 'True').lower() == 'true'
HF_MODEL = "YDS-Pharmatech/FragLlama-base"
HF_TOKENIZER_PATH = "/data/fraglm/tokenizer/fraglm_2406_bpe_8k.json"
LOCAL_MODEL = args.model_path
LOCAL_TOKENIZER_PATH = args.tokenizer_path
device = get_device()
# ==============================
# Load Model
# ==============================
def install_and_import(package):
import importlib
package_path = f"/data/{package}"
# Always try to update the repository first if it exists
if os.path.exists(os.path.join(package_path, '.git')):
print(f"Updating {package} repository...")
try:
subprocess.check_call(['git', '-C', package_path, 'pull'])
print(f"Successfully updated {package}")
except subprocess.CalledProcessError as e:
print(f"Warning: Failed to update {package}: {e}")
try:
# Try to import after potential update
return importlib.import_module(package)
except ImportError:
print(f"{package} not found, attempting to install...")
# Install the package
subprocess.check_call([sys.executable, "-m", "pip", "install", "--no-deps", "-e", package_path])
print(f"{package} installed successfully")
return importlib.import_module(package)
if HF_SPACE:
# TODO: move the tmp csv to the docker temp folder
os.makedirs("/data/tmp", exist_ok=True)
sys.path.append("/data/fraglm")
# os.chdir("/data/fraglm")
fraglm = install_and_import("fraglm")
else:
from fraglm.constants import PROJECT_HOME_DIR; os.chdir(PROJECT_HOME_DIR)
from fraglm.inference import FragLMDesign
from fraglm.utils import *
from fraglm.trainer.model import FragLMLlamaModel
from fraglm.inference.post_processing import PostProcessMode, PostProcessConfig
from fraglm.ui_tools import *
if DEBUG:
import importlib.util
spec = importlib.util.find_spec("fraglm.inference")
print(f"fraglm.inference spec: {spec}")
# print(f"Installed packages: {subprocess.check_output([sys.executable, '-m', 'pip', 'list']).decode()}")
if HF_SPACE:
model = FragLMLlamaModel.from_pretrained(HF_MODEL, token=os.getenv('HF_TOKEN')).to(device)
designer = FragLMDesign(model=model, tokenizer=HF_TOKENIZER_PATH)
else:
model = FragLMLlamaModel.from_pretrained(LOCAL_MODEL).to(device)
designer = FragLMDesign(model=model, tokenizer=LOCAL_TOKENIZER_PATH)
DEFAULT_GEN_CONFIG = GenerationConfig.from_model_config(model.config).to_dict()
def parse_generation_config(config_str: str, default_config: Dict[str, Any] = DEFAULT_GEN_CONFIG) -> GenerationConfig:
"""
Parse the generation config string and create a GenerationConfig object.
Allows partial overwrite of the default config.
"""
try:
# Make a copy of default_config to avoid modifying it
config_dict = default_config.copy()
if config_str:
# Update with user provided config
config_dict.update(json.loads(config_str))
return GenerationConfig(**config_dict)
except json.JSONDecodeError:
# If parsing fails, return the default config
return GenerationConfig(**default_config)
# ==============================
# Inference Code
# ==============================
def create_designer(gen_config_str):
gen_config = parse_generation_config(gen_config_str)
if HF_SPACE:
model = FragLMLlamaModel.from_pretrained(HF_MODEL, token=os.getenv('HF_TOKEN')).to(device)
if gen_config:
designer = FragLMDesign(model=model, tokenizer=HF_TOKENIZER_PATH, generation_config=gen_config)
else:
designer = FragLMDesign(model=model, tokenizer=HF_TOKENIZER_PATH)
else:
model = FragLMLlamaModel.from_pretrained(LOCAL_MODEL).to(device)
if gen_config:
designer = FragLMDesign(model=model, tokenizer=LOCAL_TOKENIZER_PATH, generation_config=gen_config)
else:
designer = FragLMDesign(model=model, tokenizer=LOCAL_TOKENIZER_PATH)
return designer
def scaffold_hopping(scaffold1, scaffold2, n_samples_per_trial, extra_params_dict: dict, gen_config_str: Optional[str] = None):
"""Scaffold hopping function using scaffold morphing"""
tprint(f"UI Scaffold Hopping Debug Info")
cprint(f"Input scaffold1: {scaffold1}")
cprint(f"Input scaffold2: {scaffold2}")
cprint(f"Samples requested: {n_samples_per_trial}")
cprint(f"Extra params: {json.dumps(extra_params_dict, indent=2)}")
cprint(f"Generation config: {gen_config_str}")
scaffold1 = Chem.MolToSmiles(Chem.MolFromSmiles(scaffold1), isomericSmiles=False)
scaffold2 = Chem.MolToSmiles(Chem.MolFromSmiles(scaffold2), isomericSmiles=False)
side_chains = f"{scaffold1}.{scaffold2}"
if gen_config_str:
global designer
designer = create_designer(gen_config_str)
# Handle post processing configuration
post_process_mode = extra_params_dict.pop("post_process_mode", "SELECT_LONGEST")
if post_process_mode == "AGGRESSIVE_CONNECT":
post_process_config = PostProcessConfig(
mode=PostProcessMode.AGGRESSIVE_CONNECT,
scaffold=extra_params_dict.pop("post_process_scaffold", None),
num_attempts=extra_params_dict.pop("post_process_num_attempts", 5)
)
else:
post_process_config = PostProcessMode.SELECT_LONGEST
kwargs = {
'side_chains': side_chains,
'n_samples_per_trial': n_samples_per_trial,
'sanitize': True,
'post_process_mode': post_process_config,
**extra_params_dict
}
generated_smiles = execute_function(designer, 'scaffold_hopping', **kwargs)
if not generated_smiles:
return None, "Generation failed - no valid molecules produced", gr.Button(interactive=True), gr.Textbox(value=""), None
success_rate = len(generated_smiles) / n_samples_per_trial
success_message = f"Success Rate: {success_rate:.1%} ({len(generated_smiles)}/{n_samples_per_trial})"
try:
generated_mols = [dm.to_mol(x) for x in generated_smiles]
img = dm.viz.lasso_highlight_image(
generated_mols,
dm.from_smarts(scaffold1),
mol_size=(350, 200),
color_list=["#ff80b5"],
scale_padding=0.1,
use_svg=False,
n_cols=4
)
except Exception as e:
print(f"Visualization error: {e}")
img = dm.to_image(
generated_smiles,
mol_size=(350, 200),
use_svg=False,
)
df = pd.DataFrame({'SMILES': generated_smiles})
timestamp = pd.Timestamp.now().strftime('%Y%m%d_%H%M%S')
csv_path = f'generated_scaffold_smiles_{timestamp}_{scaffold1[:20]}_{scaffold2[:20]}.csv' if not HF_SPACE else f'generated_scaffold_smiles_{timestamp}_{scaffold1[:20]}_{scaffold2[:20]}.csv'
df.to_csv(csv_path, index=False)
return img, success_message, gr.Button(interactive=True), gr.Textbox(value=""), csv_path
def fragment_growth(motif, n_samples_per_trial, extra_params_dict: dict, gen_config_str: Optional[str] = None):
"""Fragment growth function"""
tprint(f"UI Fragment Growth Debug Info")
cprint(f"Input motif: {motif}")
cprint(f"Samples requested: {n_samples_per_trial}")
cprint(f"Extra params: {json.dumps(extra_params_dict, indent=2)}")
cprint(f"Generation config: {gen_config_str}")
motif = Chem.MolToSmiles(Chem.MolFromSmiles(motif), isomericSmiles=False)
if gen_config_str:
global designer
designer = create_designer(gen_config_str)
# Handle post processing configuration
post_process_mode = extra_params_dict.pop("post_process_mode", "SELECT_LONGEST")
if post_process_mode == "AGGRESSIVE_CONNECT":
post_process_config = PostProcessConfig(
mode=PostProcessMode.AGGRESSIVE_CONNECT,
scaffold=extra_params_dict.pop("post_process_scaffold", None),
num_attempts=extra_params_dict.pop("post_process_num_attempts", 5)
)
else:
post_process_config = PostProcessMode.SELECT_LONGEST
kwargs = {
'motif': motif,
'n_samples_per_trial': n_samples_per_trial,
'sanitize': True,
'post_process_mode': post_process_config,
**extra_params_dict
}
generated_smiles = execute_function(designer, 'fragment_growth', **kwargs)
if DEBUG:
tprint(f"UI Results Debug Info")
cprint(f"Generated SMILES: {generated_smiles}")
cprint(f"Type: {type(generated_smiles)}")
cprint(f"Length: {len(generated_smiles) if generated_smiles else 0}")
if not generated_smiles or not isinstance(generated_smiles, (list, tuple)) or len(generated_smiles) == 0:
tprint(f"UI Generation failed - empty or invalid result", sep="*")
return None, "Generation failed - no valid molecules produced", gr.Button(interactive=True), gr.Textbox(value=""), None
valid_smiles = [s for s in generated_smiles if s and Chem.MolFromSmiles(s)]
if not valid_smiles:
tprint(f"UI Generation failed - no valid molecules after filtering", sep="*")
return None, "Generation failed - no valid molecules produced", gr.Button(interactive=True), gr.Textbox(value=""), None
success_rate = len(valid_smiles) / n_samples_per_trial
success_message = f"Success Rate: {success_rate:.1%} ({len(valid_smiles)}/{n_samples_per_trial})"
try:
generated_mols = [dm.to_mol(x) for x in valid_smiles]
img = dm.viz.lasso_highlight_image(
generated_mols,
dm.from_smarts(motif),
mol_size=(350, 200),
color_list=["#ff80b5"],
scale_padding=0.1,
use_svg=False,
n_cols=4
)
except Exception as e:
print(f"Visualization error: {e}")
img = dm.to_image(
valid_smiles,
mol_size=(350, 200),
use_svg=False,
)
df = pd.DataFrame({'SMILES': valid_smiles})
timestamp = pd.Timestamp.now().strftime('%Y%m%d_%H%M%S')
csv_path = f'generated_motif_smiles_{timestamp}_{motif[:20]}.csv' if not HF_SPACE else f'generated_motif_smiles_{timestamp}_{motif[:20]}.csv'
df.to_csv(csv_path, index=False)
return img, success_message, gr.Button(interactive=True), gr.Textbox(value=""), csv_path
def linker_design(linker1, linker2, n_samples_per_trial, extra_params_dict: dict, gen_config_str: Optional[str] = None):
"""Linker design function"""
tprint(f"UI Linker Design Debug Info")
cprint(f"Input linker1: {linker1}")
cprint(f"Input linker2: {linker2}")
cprint(f"Samples requested: {n_samples_per_trial}")
cprint(f"Extra params: {json.dumps(extra_params_dict, indent=2)}")
cprint(f"Generation config: {gen_config_str}")
linker1 = Chem.MolToSmiles(Chem.MolFromSmiles(linker1), isomericSmiles=False)
linker2 = Chem.MolToSmiles(Chem.MolFromSmiles(linker2), isomericSmiles=False)
if gen_config_str:
global designer
designer = create_designer(gen_config_str)
kwargs = {
'n_samples_per_trial': n_samples_per_trial,
'sanitize': True,
'random_seed': 100,
'post_process_mode': PostProcessMode.SELECT_LONGEST,
**extra_params_dict
}
# Pass linkers as positional args
generated_smiles = execute_function(
designer,
'linker_design',
groups=[linker1, linker2], # Pass linkers as positional args
**kwargs
)
if not generated_smiles:
return None, "Generation failed - no valid molecules produced", gr.Button(interactive=True), gr.Textbox(value=""), None
success_rate = len(generated_smiles) / n_samples_per_trial
success_message = f"Success Rate: {success_rate:.1%} ({len(generated_smiles)}/{n_samples_per_trial})"
try:
generated_mols = [dm.to_mol(x) for x in generated_smiles]
img = dm.viz.lasso_highlight_image(
generated_mols,
[dm.from_smarts(linker1), dm.from_smarts(linker2)],
mol_size=(350, 200),
color_list=["#ff80b5"],
scale_padding=0.1,
use_svg=False,
n_cols=4
)
except Exception as e:
print(f"Visualization error: {e}")
img = dm.to_image(
generated_smiles,
mol_size=(350, 200),
use_svg=False,
)
df = pd.DataFrame({'SMILES': generated_smiles})
timestamp = pd.Timestamp.now().strftime('%Y%m%d_%H%M%S')
csv_path = f'generated_linker_smiles_{timestamp}_{linker1[:20]}_{linker2[:20]}.csv' if not HF_SPACE else f'generated_linker_smiles_{timestamp}_{linker1[:20]}_{linker2[:20]}.csv'
df.to_csv(csv_path, index=False)
return img, success_message, gr.Button(interactive=True), gr.Textbox(value=""), csv_path
# TODO: change verify email to submit?
def verify_email(email):
if "@" in email and "." in email:
return True, EMAIL_VERIFIED_MESSAGE
return False, "Invalid email format"
# ==============================
# UI
# ==============================
with gr.Blocks(theme=gr.themes.Citrus()) as demo:
gr.Markdown("# FragLlama Demo")
gr.HTML(VIDEO_MESSAGE)
with gr.Row(visible=REQUIRE_EMAIL):
email_input = gr.Textbox(
label="",
placeholder="Enter your email to unlock generation",
type="email",
submit_btn="Send result to my Email",
value="" if REQUIRE_EMAIL else "disabled@example.com"
)
# Global generation config
gen_config_input = gr.Textbox(
label="Generation Config (JSON format)",
placeholder='{"max_length": 200}',
value='{}',
visible=False
)
# Common parameter creation function
def create_common_params(show_aggressive_gen=False):
# Number of molecules to generate in one run
n_samples_per_trial = gr.Slider(1, 100, 20, step=1, label="Number of generated molecules")
with gr.Accordion("Advanced Options", open=False):
# Minimum number of atoms in generated molecules
min_length = gr.Number(
value=10,
label="Min Length",
info="Minimum number of atoms in generated molecules",
maximum=50
)
# Maximum number of atoms in generated molecules
max_length = gr.Number(
value=80,
label="Max Length",
info="Maximum number of atoms in generated molecules",
maximum=120
)
# Whether to keep input fragments intact without further fragmentation
do_not_fragment = gr.Checkbox(
label="Keep Input Fragments Intact",
value=False,
info="If checked, input fragments will be kept intact without further breaking down",
visible=False
)
# Experimental option for generating longer molecules
aggressive_gen = gr.Checkbox(
label="(Experimental) Long Molecule Generation",
value=False,
info="Enable aggressive connection mode for generating longer molecules",
# visible=show_aggressive_gen,
visible=False
)
# Additional parameters in JSON format
extra_params = gr.Textbox(
label="Extra Parameters (JSON format)",
placeholder='{"sanitize": "False", "other_param": value}',
info="Additional parameters in JSON format for advanced control"
)
# Hidden JSON field for storing combined parameters
extra_dict = gr.JSON(
value={}, # Empty initially, will be updated via JavaScript
visible=False # Hide this from UI
)
return n_samples_per_trial, do_not_fragment, min_length, max_length, extra_params, extra_dict, aggressive_gen
def visualize_input(smiles):
if not smiles:
return None
try:
mol = dm.to_mol(smiles)
if mol is None:
return None
img = dm.to_image(mol, mol_size=(350, 200), use_svg=False)
return img
except:
return None
# Update extra_dict whenever advanced parameters change
def update_extra_dict(do_not_fragment, min_length, max_length, extra_params, aggressive_gen=False, scaffold=None):
extra_dict = {
"do_not_fragment_further": do_not_fragment,
"min_length": min_length,
"max_length": max_length,
}
# Add post_process_mode based on aggressive_merge
if aggressive_gen:
extra_dict["post_process_mode"] = "AGGRESSIVE_CONNECT"
if scaffold:
extra_dict["post_process_scaffold"] = scaffold
extra_dict["post_process_num_attempts"] = 5
else:
extra_dict["post_process_mode"] = "SELECT_LONGEST"
# Update with any additional parameters from extra_params
try:
if extra_params:
extra_dict.update(json.loads(extra_params))
except json.JSONDecodeError:
pass
return extra_dict
# Scaffold Hopping tab
with gr.Tab("Scaffold Hopping"):
with gr.Row():
with gr.Column():
scaffold1_input = gr.Textbox(label="Scaffold 1")
scaffold1_input.placeholder = PLACEHOLDER_SCAFFOLD1
with gr.Column():
scaffold1_preview = gr.Image(label="Input Preview", type="pil")
scaffold1_input.change(
fn=visualize_input,
inputs=[scaffold1_input],
outputs=[scaffold1_preview]
)
with gr.Row():
with gr.Column():
scaffold2_input = gr.Textbox(label="Scaffold 2")
scaffold2_input.placeholder = PLACEHOLDER_SCAFFOLD2
with gr.Column():
scaffold2_preview = gr.Image(label="Input Preview", type="pil")
scaffold2_input.change(
fn=visualize_input,
inputs=[scaffold2_input],
outputs=[scaffold2_preview]
)
(n_samples_per_trial,
do_not_fragment, min_length, max_length,
extra_params, extra_dict, aggressive_gen) = create_common_params(show_aggressive_gen=True)
scaffold_button = gr.Button("Generate", interactive=False)
scaffold_output = gr.Image(type="pil", label="Examples of Generated Molecules")
scaffold_success = gr.Textbox(label="Generation Statistics")
scaffold_send = gr.Button("Send Results", interactive=False)
scaffold_send_status = gr.Textbox(label="Send Status", value="")
scaffold_csv_path = gr.Textbox(visible=False)
# Connect the update function
for param in [do_not_fragment, min_length, max_length, extra_params]:
param.change(
fn=update_extra_dict,
inputs=[do_not_fragment, min_length, max_length, extra_params],
outputs=[extra_dict]
)
scaffold_button.click(
scaffold_hopping,
inputs=[
scaffold1_input,
scaffold2_input,
n_samples_per_trial,
extra_dict,
gen_config_input,
],
outputs=[
scaffold_output,
scaffold_success,
scaffold_send,
scaffold_send_status,
scaffold_csv_path
]
)
scaffold_send.click(
fn=send_result,
inputs=[
email_input,
scaffold_csv_path,
gr.Textbox(value="Scaffold Hopping", visible=False)
],
outputs=[scaffold_send_status]
)
# Fragment Growth tab
with gr.Tab("Fragment Growth"):
with gr.Row():
with gr.Column():
motif_input = gr.Textbox(label="Fragment")
motif_input.placeholder = PLACEHOLDER_MOTIF
with gr.Column():
motif_preview = gr.Image(label="Input Preview", type="pil")
motif_input.change(
fn=visualize_input,
inputs=[motif_input],
outputs=[motif_preview]
)
(n_samples_per_trial,
do_not_fragment, min_length, max_length,
extra_params, extra_dict, aggressive_gen) = create_common_params()
motif_button = gr.Button("Generate", interactive=False)
motif_output = gr.Image(type="pil", label="Examples of Generated Molecules")
motif_success = gr.Textbox(label="Generation Statistics")
motif_send = gr.Button("Send Results", interactive=False)
motif_send_status = gr.Textbox(label="Send Status", value="")
motif_csv_path = gr.Textbox(visible=False)
# Connect the update function
for param in [do_not_fragment, min_length, max_length, extra_params, aggressive_gen]:
param.change(
fn=update_extra_dict,
inputs=[do_not_fragment, min_length, max_length, extra_params, aggressive_gen, motif_input],
outputs=[extra_dict]
)
motif_button.click(
fragment_growth,
inputs=[
motif_input,
n_samples_per_trial,
extra_dict,
gen_config_input,
],
outputs=[
motif_output,
motif_success,
motif_send,
motif_send_status,
motif_csv_path
]
)
motif_send.click(
fn=send_result,
inputs=[
email_input,
motif_csv_path,
gr.Textbox(value="Fragment Growth", visible=False)
],
outputs=[motif_send_status]
)
# Linker Design tab
with gr.Tab("Linker Design"):
with gr.Row():
with gr.Column():
linker1_input = gr.Textbox(label="Linker 1")
linker1_input.placeholder = PLACEHOLDER_LINKER1
with gr.Column():
linker1_preview = gr.Image(label="Input Preview", type="pil")
linker1_input.change(
fn=visualize_input,
inputs=[linker1_input],
outputs=[linker1_preview]
)
with gr.Row():
with gr.Column():
linker2_input = gr.Textbox(label="Linker 2")
linker2_input.placeholder = PLACEHOLDER_LINKER2
with gr.Column():
linker2_preview = gr.Image(label="Input Preview", type="pil")
linker2_input.change(
fn=visualize_input,
inputs=[linker2_input],
outputs=[linker2_preview]
)
(n_samples_per_trial,
do_not_fragment, min_length, max_length,
extra_params, extra_dict, aggressive_gen) = create_common_params()
linker_button = gr.Button("Generate", interactive=False)
linker_output = gr.Image(type="pil", label="Examples of Generated Molecules")
linker_success = gr.Textbox(label="Generation Statistics")
linker_send = gr.Button("Send Results", interactive=False)
linker_send_status = gr.Textbox(label="Send Status", value="")
linker_csv_path = gr.Textbox(visible=False)
# Connect the update function
for param in [do_not_fragment, min_length, max_length, extra_params]:
param.change(
fn=update_extra_dict,
inputs=[do_not_fragment, min_length, max_length, extra_params],
outputs=[extra_dict]
)
linker_button.click(
linker_design,
inputs=[
linker1_input,
linker2_input,
n_samples_per_trial,
extra_dict,
gen_config_input,
],
outputs=[
linker_output,
linker_success,
linker_send,
linker_send_status,
linker_csv_path
]
)
linker_send.click(
fn=send_result,
inputs=[
email_input,
linker_csv_path,
gr.Textbox(value="Linker Design", visible=False)
],
outputs=[linker_send_status]
)
with gr.Tab("Advanced Global Settings"):
gr.Markdown("""
# Generation Config Settings
- Default config will be used if not specified
- You can partially override specific parameters
- Example: {"max_length": 200} will only override max_length
- Reference: https://huggingface.co/docs/transformers/main/en/main_classes/text_generation
## Available Parameters
- max_length: Maximum length of generated sequence
- min_length: Minimum length of generated sequence
- temperature: Higher values produce more diverse outputs
- top_p: Nucleus sampling threshold
- top_k: Top-k sampling threshold
- ...
""")
# gen_config_input.render()
# Create a new textbox and store the reference
config_editor = gr.Textbox(
label="Generation Config (JSON format)",
placeholder='{"max_length": 200}',
value='{}',
interactive=True,
)
# Use the reference in change event
config_editor.change(
lambda x: x,
inputs=[config_editor],
outputs=[gen_config_input]
)
with gr.Tab("Contact Us"):
gr.Markdown(ABOUT_MESSAGE)
def update_button_states(email):
if not REQUIRE_EMAIL:
is_valid = True
message = "Email verification disabled"
return [
gr.Button(interactive=True), # scaffold_button
gr.Button(interactive=True), # motif_button
gr.Button(interactive=True), # linker_button
gr.Button(interactive=False), # scaffold_send - force disable
gr.Button(interactive=False), # motif_send - force disable
gr.Button(interactive=False) # linker_send - force disable
]
else:
is_valid, message = verify_email(email)
gr.Info(message)
return [
gr.Button(interactive=is_valid), # scaffold_button
gr.Button(interactive=is_valid), # motif_button
gr.Button(interactive=is_valid), # linker_button
gr.Button(interactive=is_valid), # scaffold_send
gr.Button(interactive=is_valid), # motif_send
gr.Button(interactive=is_valid) # linker_send
]
if not REQUIRE_EMAIL:
demo.load(
fn=lambda: update_button_states("disabled@example.com"),
outputs=[scaffold_button, motif_button, linker_button, scaffold_send, motif_send, linker_send]
)
email_input.submit(
fn=update_button_states,
inputs=[email_input],
outputs=[scaffold_button, motif_button, linker_button, scaffold_send, motif_send, linker_send]
)
if __name__ == "__main__":
demo.launch(share=SHARE_SPACE) |