How to add RDKit to project in PyCharm? - python

So, I am trying to add RDKit to my project in PyCharm. I have found that if you are using interpreter /usr/bin/python2.7 PyCharm will try to install stuff using the pip. While, RDKit requires conda. I have tried to change the interpreter to conda, but RDKit is either not on the list or it can't open the URL with the repo. Does anyone know how to fix that?
By the way, is it possible while keeping the interpreter /usr/bin/python2.7 to make it use anything else (not pip), while installing stuff?

I have finally found how to do that and it's not difficult at all:
Install conda;
Install RDKit, following these instructions
Go to the preferences in PyCharm either like this:
or like this (you need a wrench):
In the project interpreter select: ~/anaconda/envs/my-rdkit-env/bin/python
Make sure you add or update the corresponding python paths to PATH, otherwise it wouldn't work.
TESTS:
Tried to install fiona - success, so there's no impact on the installation;
Tried the simple code: print('HELLO WORLD!') - worked
Tried rdkit code
from rdkit import Chem
m = Chem.MolFromSmiles('Cc1ccccc1')
print(m)
worked, the log: <rdkit.Chem.rdchem.Mol object at 0x101125080>

Another option is to select the existing virtual environment when you create a new project in PyCharm. Once you go through the steps that Anna laid out above, the "Previously configured interpreter" section of the "Create Project" screen should show the ~/anaconda/envs/my-rdkit-env/bin/python as an option.

Related

Errors importing module after using Pip to install with Python 3.9

Apologies, but I'm a total python newbie and I'm really stuck with this. I've got Python 3.9 on a PC, and am learning to code using PyCharm as my editor. I've used Pip to import numpy but I'm getting an error when I add "import numpy" to my script:
ModuleNotFoundError: No module named 'numpy'
It looks like Pip downloaded it okay, and put it into the folder:
C:\Users\Alastair Heptonstall\AppData\Local\Programs\Python\Python39\Lib\site-packages\numpy
PyCharm appears to be using the correct version of python (it has Python 3.9 in the lower right corner of the screen). And it looks like the version of Pip I used is the one that came with Python 3.9.
Is this error caused by a path not being set correctly?
Thanks for any help, very much appreciated!
You can try this
1. Open PyCharm.
2. go to File -> settings -> Project:untitled1 (untitled1 means your project name) -> select project interpretor -> click add button
3. after clicking add button and search <package name> then install it.
finally, run the program.
Newer versions of Pycharm have a "+" mark (add button) here.

Why does importing Pytorch in Sublime Text cause a ModuleNotFoundError?

The command 'import torch' causes the build error: 'ModuleNotFoundError: No module named 'torch''.
But when I run the command in the terminal, pytorch works just fine (Python 3.7.X).
Are you using a venvin the project you are right now? If that is so, then you need to install torch in that venv, as it has been created just for the project, so it has not got any extra modules like that one.
Take a look at this. And make sure that the module is in the environment your project is!
In Pycharm for example, whenever you create a new project with a new venv(virtual environment), you need to add to your project settings->interpreter settings the module manually, so it can be imported. Because it may be installed in your system, but not in that venvspecifically, which will look in there!
try this
link
it might help.
Also Faced similar issue in Windows 10 with Anaconda installed. Installed pytorch package using conda install command which I found here: http://pytorch.org/
The usual import from command-line worked for my environment(torch):

Trouble importing python packages using PyCharm

I've been trying to install simple packages for python such as numpy and pandas, and while I am able to install the package manually from the command line using pip as soon as I try to import it PyCharm can't find it. I have manually configured the path, with no luck.
PyCharm can also not find the packages I want to install itself and produces a connection timeout, this could be because I am working from a secure network.
Still pretty new to python and software dev in general, I apologise in advance if I'm being stupid, but no other similar threads are solving the issue.
I am operating on windows 7. The error I get is:
C:\Users\james.alexander\PycharmProjects\Test.py\venv1\Scripts\python.exe C:/Users/james.alexander/PycharmProjects/Test.py/testfile.py
Traceback (most recent call last):
File "C:/Users/james.alexander/PycharmProjects/Test.py/testfile.py", line 1, in <module>
import numpy
ModuleNotFoundError: No module named 'numpy'
I think PyCharm use a virtualenv, installing via pip won't work since it will install the package in your local env.
Check https://www.jetbrains.com/help/pycharm/installing-uninstalling-and-upgrading-packages.html
Try This:
Step 1: Ctrl+Alt+s
Step 2: Look for Project Interpreter Under Project
Step 3: Look for + In the right corner of prompt box.
Step 4: Search and select your required package. And Install button is just below.
First check the Project Interpreter in your pycharm.
File > Settings >Project >Project Interpreter
Check the version of python there (python2 or python3)
And check if you are using any virtual environment
And see what version python you have installed
For python3 you may have to use "pip3 install pkgname"
For python2 use "pip install pkgname"
In PyCharm, you can install modules from within the app. Simply access your preferences, then under 'Project Interpreter', you will find a table containing your installed modules. To install a new one, click the + symbol on the bottom - left, then search for the appropriate package, e.g. numpy. Once you've found it, simply click 'Install Package'. The module is now installed and ready to use!
EDIT: I've just seen that someone else has already posted this answer, sorry about that :)

Getting PyCharm to import sklearn

Beginner here.
I’m trying to use sklearn in pycharm. When importing sklearn I get an error that reads “Import error: No module named sklearn”
The project interpreter in pycharm is set to 2.7.10 (/anaconda/bin/python.app), which should be the right one.
Under default preferenes, project interpreter, I see all of anacondas packages. I've double clicked and installed the packages scikit learn and sklearn. I still receive the “Import error: No module named sklearn”
Does anyone know how to solve this problem?
To make sure you have Scikit-learn package installed on your PyCharm IDE, go to File Menu>Settings and search for Interpreter. Select Project Interpreter, and if you dont see Scikit-learn in the list of packages, click the + sign on the right end. It brings us another window with a search bar, where you can type 'Scikit-learn' and install (see screenshots). I hope this helps.
Screenshots:
,
please notice that, in the packages search 'Scikit-learn', instead 'sklearn'
go to terminal- type python -m pip install scikit-learn
then hit enter.
give it some seconds. It will be done.
Sample Image
Double check your python interpreter. Check whether you have select correct interpreter at the first when you create the project.
Or else you can check your interpreter from the project view under External Libraries.
In your case if you didn't select 2.7.10 (/anaconda/bin/python.app) as your interpreter for the project at the beginning still the program give the same error Import error: No module named sklearn.
Same error occurs to me i have fixed by selecting File Menu-> Default Settings-> Project Interpreter -> Press + button and type 'sklearn' Press install button. Installation will be done in 10 to 20 seconds.
If issue not resolved please check you PyCharm Interpreter path. Sometimes your machine have Python 2.7 and Python 3.6 both installed and there may be some conflict by choosing one.
I had exactly the same problem. I'm using PyCharm with Anaconda3 & Python 3.7, and I've installed other packages into/via PyCharms just fine (such as numpy, scipy, and others). But although scikit-learn (which contains sklearn, that was initially confusing) seems fully installed on my system, including "import sklearn" working outside of PyCharm, I could not get the "import sklearn" to succeed inside PyCharm.
I finally got a python-expert friend to help me. He verified everything was correctly installed on my system and verified that PyCharm was somehow messing up.
We finally determined that the venv (virtual environment) was not including scikit-learn (sklearn) even though I had imported it properly into the Project Interpreter in PyCharms.
Solution: Delete and recreate the VENV, specifically ticking the box Inherit Global Site Packages
See here: https://www.jetbrains.com/help/pycharm/creating-virtual-environment.html
for how to create a new virtual environment and get to that parameter.
SOLVED:
reinstalled Python 3.7.9 (not the latet)
installed numpy 1.17.5 (not the latest)
installed scikit-learn (latest)
sklearn works now!
For Mac OS:
PyCharm --> Preferences --> Project Interpreter --> Double Click on pip (a new window will open with search option) --> mention 'Scikit-learn' on the search bar --> Install Packages --> Once installed, close that new window --> OK on the existing window
and you are done.

How to solve "Unresolved import: HTML" in Python Development?

I'm starting to learn about python development in a new project.
I got setup almost everything right, but only this import HTML that keeps given me some error that I don't know how to solve it.
import web
import json
from WebServer.forms import mainPageForm, addBugForm, addProblemForm, addProblemTypeForm, versionsDropdownForm,\
severitiesDropdownForm, problemTypesDropdownForm, problemsDropdownForm
import BugRecorderCore.controller as ctrl
import BugRecorderCore.validators as vdt
import datetime
import os
from BugRecorderCore.utils import concatenateString
import HTML
//...
I already tried to install HTML.py already, but still no success so far.
Any idea or advice about this issue ?
UPDATE
Following the suggestions from the answers below I got this message:
It looks like you are using anaconda, have you tried installing it the anaconda way?
conda install HTML
Also do you by any chance have 2 version of Python on your system?
If the package is unavailable you'll have to user pip. If you don't have pip, from your command line write:
python get-pip.py
pip install HTML
Looking the given screenshots and tags I suppose your are using Anaconda (which I have no experience but it is still Python, anyway) and the IDE is not resolving the import.
Make sure you have installed/updated HTML.py
conda install HTML
At your IDE go to Window > Preferences > Python Interpreter
At Libraries tab make sure you have the following folders added to your PYTHONPATH:
C:\Anaconda\Lib
C:\Anaconda\Lib\site-packages
C:\Anaconda\Scripts
That should do the trick.
Important: try to always install your libraries through conda (or pip when using Python directly). It will install things where it should be. ;)

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