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app.py
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app.py
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# from data.single_pred_tasks.tasks import _TASKS
import backend.task_datasets as data
from backend.metadata.publications import _PUBLICATIONS as publications
import benchmark.groups as benchmark_groups
import benchmark.leaderboards as benchmark_leaderboards
from flask import Flask, flash, redirect, render_template, request, session, url_for
app = Flask(__name__)
@app.route('/')
def index():
publications.sort(key=lambda x: (-x["year"], -x["month"]))
args = {
"publications": publications
}
return render_template('index.html', **args)
@app.route('/start', strict_slashes=False)
def start():
return render_template('start.html')
@app.route('/overview', strict_slashes=False)
def overview():
return render_template('overview/index.html')
@app.route("/news", strict_slashes=False)
def news():
return render_template('news.html')
@app.route("/team", strict_slashes=False)
def team():
return render_template('team.html')
@app.route('/single_pred_tasks/overview', strict_slashes=False)
def single_pred_tasks():
vars = {
"items": data.single_pred_tasks.tasks,
"data": [(endpt, label, data.single_pred_tasks.datasets[endpt]) for endpt, label, _ in data.single_pred_tasks.tasks[1:]] # skip adme
}
return render_template('single_pred_tasks/index.html', **vars)
@app.route("/single_pred_tasks/<task>", strict_slashes=False)
def single_pred_tasks_data(task):
if task == "adme":
return render_template("single_pred_tasks/adme.html")
if task.lower() == "mpc":
return render_template("single_pred_tasks/MPC.html")
elif task in data.single_pred_tasks.datasets:
datasets = []
for var in data.single_pred_tasks.datasets[task]:
if var in data.single_pred_tasks.meta:
if len(data.single_pred_tasks.meta[var]) != 10:
raise Exception(var, len(data.single_pred_tasks.meta[var]))
datasets.append([var] + data.single_pred_tasks.meta[var])
desc = data.single_pred_tasks.desc[task]
args = {
"datasets": datasets,
"task": task,
"desc_id": desc[0],
"desc_title": desc[1],
"desc_desc": desc[2],
"desc_impact": desc[3],
"desc_gen": desc[4],
"desc_product": desc[5],
"desc_pipeline": desc[6],
}
return render_template("single_pred_tasks/task.html", **args)
return redirect("/single_pred_tasks/overview")
@app.route("/multi_pred_tasks/overview", strict_slashes=False)
def multi_pred_tasks():
vars = {
"items": data.multi_pred_tasks.tasks,
"data": [(endpt, label, data.multi_pred_tasks.datasets[endpt]) for endpt, label, _ in data.multi_pred_tasks.tasks]
}
return render_template("multi_pred_tasks/index.html", **vars)
@app.route("/multi_pred_tasks/<task>", strict_slashes=False)
def multi_pred_task_data(task):
if task == "catalyst":
return render_template("multi_pred_tasks/catalyst.html")
elif task == "ddi":
return render_template("multi_pred_tasks/ddi.html")
elif task == "drugres":
return render_template("multi_pred_tasks/drugres.html")
elif task == "dti":
return render_template("multi_pred_tasks/dti.html")
elif task == "mti":
return render_template("multi_pred_tasks/mti.html")
elif task == "ppi":
return render_template("multi_pred_tasks/ppi.html")
elif task == "proteinpeptide":
return render_template("multi_pred_tasks/proteinpeptide.html")
elif task == "tcrepitope":
return render_template("multi_pred_tasks/tcrepitope.html")
elif task == "antibodyaff":
return render_template("multi_pred_tasks/antibodyaff.html")
elif task == "trialoutcome":
return render_template("multi_pred_tasks/trialoutcome.html")
elif task == "scdti":
return render_template("multi_pred_tasks/scdti.html")
elif task == "counterfactual":
return render_template("multi_pred_tasks/counterfactual.html")
elif task in data.multi_pred_tasks.datasets:
datasets = []
for var in data.multi_pred_tasks.datasets[task]:
if var in data.multi_pred_tasks.meta:
if len(data.multi_pred_tasks.meta[var]) != 10:
raise Exception(var, len(data.multi_pred_tasks.meta[var]))
datasets.append([var] + data.multi_pred_tasks.meta[var])
desc = data.multi_pred_tasks.desc[task]
args = {
"datasets": datasets,
"task": task,
"desc_id": desc[0],
"desc_title": desc[1],
"desc_desc": desc[2],
"desc_impact": desc[3],
"desc_gen": desc[4],
"desc_product": desc[5],
"desc_pipeline": desc[6],
}
return render_template("multi_pred_tasks/task.html", **args)
else:
return redirect("/multi_pred_tasks/overview")
@app.route("/generation_tasks/overview", strict_slashes=False)
def generation_tasks():
return render_template("generation_tasks/index.html")
@app.route("/generation_tasks/<task>", strict_slashes=False)
def generation_tasks_data(task):
if task == "molgen":
return render_template("generation_tasks/molgen.html")
elif task == "reaction":
return render_template("generation_tasks/reaction.html")
elif task == "retrosyn":
return render_template("generation_tasks/retrosyn.html")
elif task == "sbdd":
return render_template("generation_tasks/sbdd.html")
else:
return redirect("/generation_tasks/overview")
@app.route("/fct_overview", strict_slashes=False)
def fct_overview():
return render_template("/fct_overview.html")
@app.route("/functions/<section>", strict_slashes=False)
def function_page(section):
if section == "oracles":
return render_template("/functions/oracles.html")
elif section == "data_evaluation":
return render_template("/functions/data_evaluation.html")
elif section == "data_process":
return render_template("/functions/data_process.html")
elif section == "data_split":
return render_template("/functions/data_split.html")
else:
return redirect("/fct_overview")
@app.route("/benchmark", strict_slashes=False)
def benchmark():
return render_template("/benchmark/index.html")
@app.route("/benchmark/overview", strict_slashes=False)
def benchmark_overview():
return render_template("/benchmark/index.html")
@app.route("/benchmark/<group>/<leaderboard>", strict_slashes=False)
def benchmark_leaderboard_overview(group, leaderboard):
leads = benchmark_groups._GROUP_MEMBERSHIP[group]
if leaderboard == "overview":
if group != "clinical_trial":
group = '_'.join(group.split("_")[:-1])
s = "/benchmark/{}.html".format(group)
else:
s = "/benchmark/clinical_trial.html"
args = {
"leaderboards": leads
}
return render_template(s, **args)
elif leaderboard == "DrugComb_CSS" and group == "drugcombo_group":
return render_template("/benchmark/drugcomb_css.html")
elif leaderboard == "DRD3" and group == "docking_group":
return render_template("/benchmark/drd3.html")
elif leaderboard == "scperturb_drug_SrivatsanTrapnell2020_sciplex2" and group == "counterfactual_group":
return render_template("/benchmark/scperturb_drug_SrivatsanTrapnell2020_sciplex2.html")
else:
lb = benchmark_leaderboards._LEADERBOARDS[leaderboard]
order, entries, scores = lb[2], lb[3], lb[4]
if len(entries) != len(scores):
raise ValueError("length of lb entries {} does not match length of provided scores {} for lb {}".format(len(entries), len(scores), leaderboard))
increasing = order == "incr"
sidxs = sorted([i for i in range(len(entries))], key=lambda idx: entries[idx][-1] if increasing else -entries[idx][-1])
lb[3] = [entries[i] for i in sidxs]
lb[4] = [scores[i] for i in sidxs]
args = {
"entries": entries,
"scores": scores,
"group": group,
"leaderboard": leaderboard,
"style": lb[0],
"cols": lb[1],
"extra_vals": lb[-1],
"extra_cols": lb[-2],
"leaderboards": leads,
}
return render_template("/benchmark/leaderboard.html", **args)
if __name__ == '__main__':
app.run(debug=True) # debug=True for development mode