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There are no errors I see, but after I import the pretrained model to use, I want to atleast test it so that I know that it works in Google Colab.
Environment used: Google Colab T4 GPU
Initial setup:
!git clone https://github.com/MinkaiXu/GeoLDM.git
%cd GeoLDM
%ls
!pip install -r requirements.txt
!pip install rdkit-pypi streamlit py3dmol # Visualization and UI tools
!pip install mkl-fft==1.3.11
!pip install gdown
!pip uninstall numpy
!pip install numpy==1.26.4
# Download the model tar.gz manually
!gdown --folder https://drive.google.com/drive/folders/1EQ9koVx-GA98kaKBS8MZ_jJ8g4YhdKsL
!tar -xvzf /content/GeoLDM/ICML23\ GeoLDM/qm9_latent2.tar.gz
I also did some edits because of some errors I was running into:
!sed -i 's/np.int/int/g' /content/GeoLDM/qm9/data/prepare/qm9.py
!sed -i 's/w_xaxis/xaxis/g' /content/GeoLDM/qm9/visualizer.py
!sed -i 's/w_yaxis/yaxis/g' /content/GeoLDM/qm9/visualizer.py
!sed -i 's/w_zaxis/zaxis/g' /content/GeoLDM/qm9/visualizer.py
!sed -i 's/^\(.*create_gif.*\)$/# \1/' /content/GeoLDM/eval_sample.py
Command for test run:
!python /content/GeoLDM/eval_sample.py --model_path /content/GeoLDM/qm9_latent2 --n_samples 10 --save_visualization True --visualization_dir /content/sample_vis
It has been over 4 hours the output is at:
Found a sample to visualize :)
There are no png images or gif or anything created at /outputs/rld_fixsig_enc1_latent2.
How should I go about it???
Please someone help me
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