Louchaofeng / IDL-PPBopt

Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method"
GNU General Public License v3.0
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Error on Load model step #3

Open zhywang17 opened 1 year ago

zhywang17 commented 1 year ago

Hi Lou, I am trying to run some tests locally and I managed to set up the environment, nothing wrong at the import cell, until the Step 3 this error comes:

c:\Users\zwang\AppData\Local\anaconda3\envs\IDL-win\lib\site-packages\torch\serialization.py:657: SourceChangeWarning: source code of class 'torch.nn.modules.linear.Linear' has changed. Tried to save a patch, but couldn't create a writable file Linear.patch. Make sure it doesn't exist and your working directory is writable. warnings.warn(msg, SourceChangeWarning) c:\Users\zwang\AppData\Local\anaconda3\envs\IDL-win\lib\site-packages\torch\serialization.py:657: SourceChangeWarning: source code of class 'torch.nn.modules.container.ModuleList' has changed. Tried to save a patch, but couldn't create a writable file ModuleList.patch. Make sure it doesn't exist and your working directory is writable. warnings.warn(msg, SourceChangeWarning)

I am running it on Win11 with anaconda, the env list is:

backcall 0.2.0
blas 1.0
bottleneck 1.3.5
bzip2 1.0.8
ca-certificates 2023.05.3 cairo 1.16.0
cairocffi 1.6.0
cairosvg 2.7.0
certifi 2022.12.7 cffi 1.15.1
colorama 0.4.6
cssselect2 0.2.1
cudatoolkit 9.2
cycler 0.11.0
debugpy 1.5.1
decorator 5.1.1
defusedxml 0.7.1
entrypoints 0.4
expat 2.4.9
fontconfig 2.14.1
freetype 2.12.1
giflib 5.2.1
glib 2.69.1
gst-plugins-base 1.18.5
gstreamer 1.18.5
icc_rt 2022.1.0 icu 58.2
intel-openmp 2023.1.0 ipykernel 6.15.2
ipython 7.31.1
jedi 0.18.1
joblib 1.1.1
jpeg 9e
jupyter_client 7.4.9
jupyter_core 4.11.2
kiwisolver 1.4.4
krb5 1.19.4
lerc 3.0
libboost 1.67.0
libclang 14.0.6
libclang13 14.0.6
libdeflate 1.17
libffi 3.4.4
libiconv 1.16
libogg 1.3.5
libpng 1.6.39
libsodium 1.0.18
libtiff 4.5.0
libvorbis 1.3.7
libwebp 1.2.4
libwebp-base 1.2.4
libxml2 2.10.3
libxslt 1.1.37
lz4-c 1.9.4
matplotlib 3.2.2
matplotlib-base 3.2.2
matplotlib-inline 0.1.6
mkl 2020.2
mkl-service 2.3.0
mkl_fft 1.3.0
mkl_random 1.1.1
nest-asyncio 1.5.6
ninja 1.10.2
ninja-base 1.10.2
numexpr 2.7.3
numpy 1.19.2
numpy-base 1.19.2
openbabel 2.4.1
openssl 1.1.1u
packaging 22.0
pandas 1.3.5
parso 0.8.3
pcre 8.45
pickleshare 0.7.5
pillow 9.4.0
pip 22.3.1
pixman 0.40.0
ply 3.11
prompt-toolkit 3.0.36
psutil 5.9.0
py-boost 1.67.0
pycparser 2.21
pygments 2.11.2
pyparsing 3.0.9
pyqt 5.15.7
pyqt5-sip 12.11.0
python 3.7.0
python-dateutil 2.8.2
python_abi 3.7
pytorch 1.5.1
pytz 2022.7
pywin32 305
pyzmq 23.2.0
qt-main 5.15.2
qt-webengine 5.15.9
qtwebkit 5.212
rdkit 2020.09.1 scikit-learn 1.0.2
scipy 1.6.2
setuptools 65.6.3
sip 6.6.2
six 1.16.0
sqlite 3.41.2
threadpoolctl 2.2.0
tinycss2 1.2.1
tk 8.6.12
toml 0.10.2
torchvision 0.6.1
tornado 6.2
traitlets 5.7.1
typing_extensions 4.1.1
vc 14.2
vs2015_runtime 14.27.290 wcwidth 0.2.5
webencodings 0.5.1
wheel 0.38.4
wincertstore 0.2
xz 5.4.2
zeromq 4.3.4
zlib 1.2.13
zstd 1.5.5

Would you kindly give some suggestions? Thank you.

Zhenyu