Here are the outputs: (Navid_env) [nshervan@qa-v100-004 ~/Private/Research/Scattering-VAE ]which python3
/afs/crc.nd.edu/x86_64_linux/p/pytorch/1.0.0/build-new/bin/python3 (Navid_env) [nshervan@qa-v100-004 ~/Private/Research/Scattering-VAE ]python3 -c "from rdkit import Chem;print(Chem.__file__)" Traceback (most recent call last): File "<string>", line 1, in <module> ModuleNotFoundError: No module named 'rdkit' (Navid_env) [nshervan@qa-v100-004 ~/Private/Research/Scattering-VAE ] Navid On Wed, Apr 1, 2020 at 10:40 AM Greg Landrum <greg.land...@gmail.com> wrote: > Are you sure that you get the python from your environment when you do > "python3 main.py"? > > Please try these two commands: > > which python3 > python3 -c "from rdkit import Chem;print(Chem.__file__)" > > > > On Tue, Mar 31, 2020 at 11:17 PM Navid Shervani-Tabar <nshe...@gmail.com> > wrote: > >> Hello RDKiters, >> >> I have been using rdkit on my laptop for a while. I was trying to install >> it on my remote repository using conda-forge. It looks like I was able to >> install it but I still get the following error >> >> (Navid_env) [*****@crcfe01 ~/Private/Research/code ] conda install -c >> conda-forge rdkit >> >> Collecting package metadata (current_repodata.json): done >> >> Solving environment: done >> >> >> >> ==> WARNING: A newer version of conda exists. <== >> >> current version: 4.8.2 >> >> latest version: 4.8.3 >> >> >> Please update conda by running >> >> >> $ conda update -n base -c defaults conda >> >> >> >> >> # All requested packages already installed. >> >> >> (Navid_env) [*****@crcfe01 ~/Private/Research/code ] python3 main.py >> >> Traceback (most recent call last): >> >> File "main.py", line 6, in <module> >> >> from VAEtrain import VAEgraph >> >> File "/afs/ >> crc.nd.edu/user/n/*****/Private/Research/Scattering-VAE/VAEtrain.py", >> line 22, in <module> >> >> from utils import tools >> >> File "/afs/ >> crc.nd.edu/user/n/*****/Private/Research/Scattering-VAE/utils.py", line >> 6, in <module> >> >> from rdkit import Chem >> >> ModuleNotFoundError: No module named 'rdkit' >> >> Any idea what might be wrong? (and yes, I have logged in and out before >> running). >> >> Thanks, >> Navid >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >
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