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import os
from flask import Flask, jsonify, request
from core.config import EvolutionConfig
# Silence HF noise
os.environ["HF_HUB_DISABLE_PROGRESS_BARS"] = "1"
os.environ["HF_HUB_DISABLE_TELEMETRY"] = "1"
from applications.pure_predictor.main import run as run_pure_predictor
from applications.molecule_generator.main import run as run_molecule_generator
app = Flask(__name__)
@app.route("/")
def home():
return {
"status": "ok",
"message": "Biofuel Optimiser HF Space is running",
"endpoints": ["/pure", "/generate"]
}
@app.route("/pure", methods=["GET"])
def pure_predict():
smiles = request.args.get("smiles", "CCC")
config = {
"mode": "1",
"smiles": smiles,
}
result = run_pure_predictor(config)
return jsonify(result)
@app.route("/generate", methods=["GET"])
def generate():
target_cn = float(request.args.get("target_cn", 55))
generations = int(request.args.get("generations", 1))
population_size = int(request.args.get("population_size", 50))
config = EvolutionConfig(
target_cn=target_cn,
generations=generations,
population_size=population_size,
minimize_ysi=True,
maximize_cn=False,
)
final_df, pareto_df = run_molecule_generator(config)
return {
"final_population": final_df.to_dict(orient="records"),
"pareto_front": pareto_df.to_dict(orient="records"),
}
if __name__ == "__main__":
# HF Spaces expects port 7860
app.run(host="0.0.0.0", port=7860)
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