[WIP] Crystals plots icml24 #329
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…ss_data_set) which now supports returning a CSV
alexhernandezgarcia
approved these changes
Jul 13, 2024
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Scripts for plotting figures in the paper. Links to the updated plots are on Notion
Command to run plotting script for Fig 3, 11-14:
PYTHONPATH=/home/mila/a/alexandra.volokhova/projects/gflownet python plots_iclm24.py --pkl_path /home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_fe/samples/gfn_iter50k_samples.pkl --random_pkl_path /home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_fe/samples/randominit_samples.pkl --target eform --no_suptitlesCommand to run plotting script for Fig 4:
PYTHONPATH=/home/mila/a/alexandra.volokhova/projects/gflownet python plots_iclm24.py --pkl_path /home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_bg/samples/gfn_iter50k_samples.pkl --random_pkl_path /home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_bg/samples/randominit_samples.pkl --target bandgap --no_suptitlesCommand to run plotting script for Fig 15:
PYTHONPATH=/home/mila/a/alexandra.volokhova/projects/gflownet python plots_iclm24.py --pkl_path /home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_density/samples/gfn_iter50k_samples.pkl --random_pkl_path /home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_density/samples/randominit_samples.pkl --target density --no_suptitlesCommand to get Fig 5:
PYTHONPATH=/home/mila/a/alexandra.volokhova/projects/gflownet python scripts/crystal/plots_conditional_icml24.py --pkl_path=/home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_fe/samples/gfn_iter50k_samples.pkl --cond_dir_root=/home/mila/a/alexandra.volokhova/projects/gflownet/external/starling_fe_conditionalTODOs: