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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 = Un…
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Hi,
Thanks for your wondering work. I am wondering if I could ask some question about the error in the multi-task regression in unimol.
My label of X,Y is like:
_SMILES,TARGET_0,TARGET_1,TARG…
yxnyu updated
11 months ago
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Hello,
While trying to use opera CL i encountered a couple of errors that weren't present in the GUI version:
1) i keep getting a KNIME error for the QSAR standardization. It gives me exit err…
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**Summary !!!**
- **BioModel Name**: Pereira2020 - Discovering growth Inhibitors of Neisseria gonorrhoeae with Machine Learning
- **BioModel Tag**: fair AIML, Machine learning model, Ersilia
…
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When "from unimol_tools import UniMolRepr", I get the following messages:
fused_multi_tensor is not installed corrected
fused_rounding is not installed corrected
fused_layer_norm is not installed…
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This would be a late-term addition. This only works with MIEs that have a particular definition of the MIE (receptor-based, or another defined molecular interaction)
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Hello,
I have been using EvalML for a while and now I tried running analyses on more complex data, while setting a small `time_budget` value to observe how it behaves.
evaml version: `0.59.0`
…
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Hi there,
Running the `RecurringQSAR-example.ipynb`, there is an import statement:
`import data_preprocessing as dp`
that fails because this module is not available.
In fact., this …
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Dear developers,
I am trying to install Uni-Mol tools on WSL from the source using command `python setup.py install`. But it always fails with the following message:
>Searching for [numpy>=1.25.0]
…
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when i run python triazine_MPN.py --csv DD1S_CAIX_QSAR.csv --out test1, it happened a error,the KeyError: "None of [Index(['sEH_[strep]_tot'], dtype='object')] are in the [columns]", I really want …