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felix5572 avatar felix5572 commented on July 23, 2024 1

@jourmore mamba create -n rtmscore python==3.9 dgl-cuda11.1 mdanalysis rdkit torch-scatter pandas prody pytorch openbabel scikit-learn scipy seaborn numpy pandas matplotlib joblib -c conda-forge -c bioconda -c dglteam

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Hespter avatar Hespter commented on July 23, 2024

其实requirements_pip.txt和requirements_conda.txt里的库不需要全部安装的,就只安装作者在readme.md中列出的那些即可,有些库的版本号也没必要跟作者的一致,根据自己机器的配置,能跑通就行吧

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jourmore avatar jourmore commented on July 23, 2024

@jourmore mamba create -n rtmscore python==3.9 dgl-cuda11.1 mdanalysis rdkit torch-scatter pandas prody pytorch openbabel scikit-learn scipy seaborn numpy pandas matplotlib joblib -c conda-forge -c bioconda -c dglteam

Thanks!

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Nireus-lgx avatar Nireus-lgx commented on July 23, 2024

请问当出现以下问题,应该如何解决呢?已经研究了好久了,始终无法解决。希望大神们帮帮忙。
*** Open Babel Error in LoadAllPlugins
Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR environment variable.

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aiforbase avatar aiforbase commented on July 23, 2024

请问当出现以下问题,应该如何解决呢?已经研究了好久了,始终无法解决。希望大神们帮帮忙。 *** Open Babel Error in LoadAllPlugins Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR environment variable.

请问当出现以下问题,应该如何解决呢?已经研究了好久了,始终无法解决。希望大神们帮帮忙。 *** Open Babel Error in LoadAllPlugins Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR environment variable.

the error cause by the code set environment BABEL_LIBDIR
remove the code os.environ["BABEL_LIBDIR"] = "/home/shenchao/.conda/envs/my3/lib/openbabel/3.1.0"
install openbabel with conda:
conda install -c conda-forge openbabel

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Nireus-lgx avatar Nireus-lgx commented on July 23, 2024

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