deepmodeling / deepmodeling/Uni-Mol
segmentation fault ( core dumped )
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Description
我在conda环境中安装好了unicore,并且在python中可以正常进行import unicore,但使用unimol_tools时出现了fragmentation fault ( core dumped )并且没有其它报错信息:
from unimol_tools import UniMolRepr
def get_mol_repr(smiles):
clf = UniMolRepr(data_type='molecule')
smiles=[smiles]
reprs = clf.get_repr(smiles)
return reprs["cls_repr"][0]
print(get_mol_repr('CCO'))
2023-09-23 16:35:49 | unimol_tools/models/unimol.py | 114 | INFO | Uni-Mol(QSAR) | Loading pretrained weights from /home/*****/miniconda3/envs/fpocket_env/lib/python3.8/site-packages/unimol_tools-1.0.0-py3.8.egg/unimol_tools/weights/mol_pre_all_h_220816.pt
2023-09-23 16:35:54 | unimol_tools/data/conformer.py | 62 | INFO | Uni-Mol(QSAR) | Start generating conformers...
Segmentation fault (core dumped)
(我使用的是centos7操作系统,和GeForce RTX3090显卡)
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