Ok, you aren't having problems with the RDKit install or with the RDKit and
IPython; you are having problems with spyder + Ipython + the RDKit
It would have been very, very helpful if you had mentioned that at the
beginning so that I could have avoided wasting our time trying to diagnose
rdkit +
Dear Christos,
Yes, I activate my enviroment and start spyder from there but I get the error.
Thank you for answering.
Best regards,
Andrés
El mié, 14 abr 2021 a las 18:20, Christos Kannas
() escribió:
>
> Hi Andres,
>
> Maybe Spyder runs on the base conda environment.
> Do you run Spyder
Hi Andres,
Maybe Spyder runs on the base conda environment.
Do you run Spyder from your activated environment?
Kind regards,
Christos
On Wed, Apr 14, 2021, 17:52 Andrés Sánchez Ruiz <
andressanchezrui...@gmail.com> wrote:
> Dear Greg,
>
> It works! It seems I can call functions of RDKit from
Dear Greg,
It works! It seems I can call functions of RDKit from this console,
however, when I start spyder and try to run them I still get the
error. Could it be something related to the spyder interpreter?
Best regards,
Andrés
El mié, 14 abr 2021 a las 17:38, Greg Landrum
() escribió:
>
>
That looks good so far.
So what happens in that exact same shell if you then start ipython
and do "import rdkit"?
-greg
On Wed, Apr 14, 2021 at 5:33 PM Andrés Sánchez Ruiz <
andressanchezrui...@gmail.com> wrote:
> Dear Greg,
>
> After activating my enviroment (foodpains) I wrote the command "
Dear Greg,
After activating my enviroment (foodpains) I wrote the command "
ipython -c 'import IPython;import
rdkit;print(IPython.__file__,rdkit.__file__)' ". Right after getting
the output I wrote: " where ipython ". This is what I get:
(foodpains) C:\Users\Andres Sanchez>ipython -c "import
That looks good. Please send the output of:
ipython -c 'import IPython;import
rdkit;print(IPython.__file__,rdkit.__file__)'
and we also need to figure out exactly which version of ipython you are
running.
If you are running these commands in the command shell, that's
where ipython
in
Dear Greg,
This is what I see after activating my enviroment (foodpains) and
introducing your command:
C:\Anaconda\envs\foodpains\lib\site-packages\IPython\__init__.py
C:\Anaconda\envs\foodpains\lib\site-packages\rdkit\__init__.py
Best regards,
Andrés
El mié, 14 abr 2021 a las 15:42, Greg
What do you see when you execute this quick test to ensure that ipython and
the rdkit are both really installed?
python -c 'import IPython;import
rdkit;print(IPython.__file__,rdkit.__file__)'
-greg
On Wed, Apr 14, 2021 at 2:58 PM Andrés Sánchez Ruiz <
andressanchezrui...@gmail.com> wrote:
>
Hello,
I have not been able to solve the issue yet after installing ipython
in the same enviroment in which I have RDKIT.
ipython 7.22.0 py39hd4e2768_0
ipython_genutils 0.2.0 pyhd3eb1b0_1
.
.
.
rdkit 2021.03.1
Dear Peter,
Thank you for your answer. When I write the first command I get nothing, it
says it does not recognise the command which. I guess you want to know my
python's version, if such is the case I have the 3.9.2. Regarding your
second command I get the list with the enviroment in which I
what happens when you type
$ which python
or
$ conda env list
On Fri, Apr 9, 2021 at 6:07 AM Andrés Sánchez Ruiz <
andressanchezrui...@gmail.com> wrote:
> Dear Greg,
>
> I didn't know I had to send my answer to the discuss inbox... my bad.
> First of all, thank you very much for your quick
Dear Greg,
I didn't know I had to send my answer to the discuss inbox... my bad. First
of all, thank you very much for your quick answer. But yes, I also have
ipython installed in my enviroment and still get the same error :
ipython 7.22.0 py39hd4e2768_0
Hi Andrés,
The typical reason for this problem is that you created a separate
environment for the RDKit and installed the package there, but forgot to
install ipython. When this happens ipython is run from the base environment
and can't find the rdkit. Can you please confirm that you have ipython
To whom it may concern,
I am having some trouble with the rdkit installation, the error I get is
the following:
> import rdkit
Traceback (most recent call last):
File "", line 1, in
import rdkit
ModuleNotFoundError: No module named 'rdkit'
However, when I check in my enviroment I can
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