What is the version of rdkit? about atom3d HOT 3 CLOSED

If import torch.utils.data first, it will mistake.
If import rdkit first, it will not mistake.

(atom3d) [panfulu@localhost cnn3d ]$python
Python 3.6.13 |Anaconda, Inc.| (default, Jun 4 2021, 14:25:59)
[GCC 7.5.0] on linux
Type "help", "copyright", "credits" or "license" for more information.

from torch.utils.data import Dataset
from rdkit import Chem
Traceback (most recent call last):
File "", line 1, in
File "/home/panfulu/anaconda3/envs/atom3d/lib/python3.6/site-packages/rdkit/Chem/init.py", line 18, in
from rdkit import DataStructs
File "/home/panfulu/anaconda3/envs/atom3d/lib/python3.6/site-packages/rdkit/DataStructs/init.py", line 13, in
from rdkit.DataStructs import cDataStructs
ImportError: /usr/lib64/libstdc++.so.6: version `CXXABI_1.3.11' not found (required by /home/panfulu/anaconda3/envs/atom3d/lib/python3.6/site-packages/rdkit/DataStructs/../../../../libRDKitDataStructs.so.1)
exit()
(atom3d) [panfulu@localhost cnn3d ]$python
Python 3.6.13 |Anaconda, Inc.| (default, Jun 4 2021, 14:25:59)
[GCC 7.5.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
from rdkit import Chem
from torch.utils.data import Dataset
exit()

from atom3d.

Hi, thanks for reporting this!

I use RDKit 2021.03.4 and PyTorch 1.9.0 with Python 3.6.13 and can import them either way.

from atom3d.

I'm closing this issue.
Feel free to reopen it if anything has remained unclear or raise a new issue if something else comes up.

from atom3d.