diff options
Diffstat (limited to 'app/views.py')
| -rw-r--r-- | app/views.py | 30 |
1 files changed, 29 insertions, 1 deletions
diff --git a/app/views.py b/app/views.py index c59f31e..488053c 100644 --- a/app/views.py +++ b/app/views.py @@ -12,7 +12,7 @@ from string import digits, ascii_lowercase # Note: that when using Flask-WTF we need to import the Form Class that we created # in forms.py -from .forms import MyForm, curieForm, statusForm +from .forms import MyForm, curieForm, statusForm, generateSMILES def gen_word(N, min_N_dig, min_N_low): choose_from = [digits]*min_N_dig + [ascii_lowercase]*min_N_low @@ -110,6 +110,34 @@ def wtform(): flash_errors(myform) return render_template('wtform.html', form=myform) +try: + from lstm_chem.utils.config import process_config + from lstm_chem.model import LSTMChem + from lstm_chem.generator import LSTMChemGenerator + config = process_config("app/prod/config.json") + modeler = LSTMChem(config, session="generate") + gen = LSTMChemGenerator(modeler) + print("Testing Model") + gen.sample(1) +except: + print("ok") + + +@app.route('/Generate', methods=['GET','POST']) +def generate(): + """Generate novel drugs""" + form = generateSMILES() + + with open("./app/prod/config.json") as config: + import json + j = json.loads(config.read()) + print(j["exp_name"]) + + if request.method == 'POST' and form.validate_on_submit(): + result = gen.sample(form.n.data) + return render_template('generate.html',expName=j["exp_name"],epochs=j["num_epochs"],optimizer=j["optimizer"].capitalize(), form=form,result=result) + + return render_template('generate.html',expName=j["exp_name"],epochs=j["num_epochs"],optimizer=j["optimizer"].capitalize(), form=form) @app.route('/Dock', methods=['GET', 'POST']) def dock_upload(): |