Post by exthouretnewssa on May 13, 2019 13:14:58 GMT -5
Main category, Education
Sub category, Science
Developer, UNamur
Filesize, 21811
Title, DrawMol
➜ bitly.com/2E7mJ8h
DrawMol_1.4.30.pkg
# this is test app for SARviz. # Author iwatobipen # Licence FREE and please enjoy chemoinfromatics from flask import Flask from flask import render_template, url_for from flask_bootstrap import Bootstrap from flask_wtf import Form from wtforms import StringField from lidators import DataRequired from chemolib import sarviz import pickle from rdkit import Chem class Smiles( Form ): smi = StringField( "- mol to smiles", validators=[ DataRequired() ] ) def create_app(): app = Flask( __name__ ) Bootstrap( app ) return app app = create_app() ( "/top/" ) def top(): return render_template( "" ) ( "/predict/", methods = ( "GET", "POST" ) ) def predict(): actcls = { -1: "non-active", 1: "active" } form = Smiles( csrf_enabled=False ) if lidate_on_submit(): smi = try: mol = lFromSmiles( smi ) except: mol = lFromSmiles( "c1ccccc1" ) # get molwt, mollogp, tpsa molprop = lprop_calc( mol ) # predict active / nonactive as integer and save image. res, fname = pperfunc( mol ) res = int( res[0] ) return render_template( "", res = actcls[res], fname=fname, molprop = molprop ) else: return render_template( "", form = form, fname="" ) if __name__ == "__main__": ( debug = True )
SLUB Dresden
▶ EL APRENDIZAJE DEBERÍA SER DIVERTIDO
iwatobipen$ npm install mongo-express
Pages - Apple’s word processor is required, so make sure you have Pages app, which you can download from the Mac App Store. If you want to open any of the templates, you need to have the latest Pages version installed on your device.
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Best! version macpkg.icu/?id=59320&kw=rpSOS.1.4.0.DrawMol.zip | 19411 kbytes |
Updated to MacBook Air macpkg.icu/?id=59320&kw=DrawMol_ver._1.2.30_0y456.zip | 21811 kbytes |
University of Aveiro Universidade da Madeira Friedrich-Alexander-Universität Erlangen-Nürnberg ［コンテンツ発行元・内容お問い合わせ先］ • The Warpeggiator Leeds City College There are five main windows: Draw, 3D, Calculate, Spectra and Help. The Draw window shows a typical ChemDoodle sketcher, where you can draw and store your structures. The 3D window allows you to view the drawn molecule in 3D. The Calculate page calculates properties and the Spectra page simulates NMR spectra. All spectra are interactive. 3. Input without quotation marks: "~/Library/Containers"
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