Taka iwatobipen

## example_code.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                iwatobipen
                / example_code.ipynb
            
            
              Created
              May 6, 2019 12:54
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## transform_mol.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                iwatobipen
                / transform_mol.ipynb
            
            
              Last active
              May 11, 2019 08:50
            
              
                comparison of rdChemReactions and editable mol
              
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## make_mo_view.ipynb

      
              1 file
            
          
              0 forks
            
          
              1 comment
            
          
              0 stars
            
          
                iwatobipen
                / make_mo_view.ipynb
            
            
              Created
              May 13, 2019 01:29
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## example_psi4.ipynb

      
              1 file
            
          
              0 forks
            
          
              1 comment
            
          
              0 stars
            
          
                iwatobipen
                / example_psi4.ipynb
            
            
              Created
              May 14, 2019 06:00
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## Vizualize_MOonPDB.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                iwatobipen
                / Vizualize_MOonPDB.ipynb
            
            
              Last active
              May 14, 2019 09:39
            
              
                MO Viz on PDB!
              
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## hetero_suffle.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                iwatobipen
                / hetero_suffle.ipynb
            
            
              Created
              June 1, 2019 12:08
            
              
                hetero_suffle_Example
              
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## constrained_embedding.ipynb

      
              1 file
            
          
              1 fork
            
          
              0 comments
            
          
              1 star
            
          
                iwatobipen
                / constrained_embedding.ipynb
            
            
              Created
              June 4, 2019 13:10
            
              
                constrained embeddings
              
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## hetero atom enumeration
{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# ref\n",
    "# https://github.com/rdkit/UGM_2017"
   ]
  },

## Protect and enumerate heterocycles.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                iwatobipen
                / Protect and enumerate heterocycles.ipynb
            
            
              Created
              June 6, 2019 13:48
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## new_function_psikit.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                iwatobipen
                / new_function_psikit.ipynb
            
            
              Created
              June 11, 2019 13:55
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
	{
	"cells": [
	{
	"cell_type": "markdown",
	"metadata": {},
	"source": [
	"# ref\n",
	"# https://github.com/rdkit/UGM_2017"
	]
	},