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jostorge / diffusion-hopping

DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
MIT License
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error loading pytorch #4

Closed yanbosmu closed 6 months ago

yanbosmu commented 7 months ago

I installed your software successfully. but when I use python generate_scaffolds.py, the error occurred.

Traceback (most recent call last): File "/home/yanbosmu/Bioinfo/diffusion-hopping-main/generate_scaffolds.py", line 4, in import torch File "/home/yanbosmu/mambaforge/envs/diffusion_hopping/lib/python3.10/site-packages/torch/init.py", line 218, in from torch._C import * # noqa: F403 ImportError: /home/yanbosmu/mambaforge/envs/diffusion_hopping/lib/python3.10/site-packages/torch/lib/libtorch_cpu.so: undefined symbol: iJIT_NotifyEvent

seems like import torch failed? THANK YOU!

yanbosmu commented 7 months ago

Is that something about I used mamba forge?

jostorge commented 7 months ago

Hi, I think this might be related to https://github.com/pytorch/pytorch/issues/123097 and is not a problem with this project specifically?

architvasan commented 6 months ago

Yah, I had the same problem but when I followed the link posted by jostorge, this suggestion: Please downgrade MKL <= 2024.0, or do not specify MKL version. solved the problem for me