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# Pyre type checker
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DockM8.code-workspace
software/Convex-PL
software/gnina
software/KORP-PL
software/PLANTS
software/qvina-w
software/qvina2.1
software/rf-score-vs
software/smina.static
software/AA-Score-Tool-main/
software/gypsum_dl-1.2.1/
software/models/DeepCoy_DEKOIS_model_e10.pickle
software/models/DeepCoy_DUDE_model_e09.pickle
software/models/DeepCoy_DUDE_phosphorus_model_e10.pickle
software/SCORCH-1.0.0/
software/RTMScore-main/
aldh1.ipynb
software/RTMScore/
dekois.ipynb
log.txt
dekois copy.ipynb
dud-e.ipynb
testing_notebook_parallel.ipynb
lit-pcba.ipynb
dude copy.ipynb
dude.ipynb
results/DEKOIS_RESULTS/DEKOIS_consensus_clustering_plots.ipynb
results/DEKOIS_RESULTS/DEKOIS_literature.xlsx
results/DUD-E_RESULTS/DUD-E_literature.xlsx
results/Lit-PCBA_RESULTS/Lit-PCBA_literature.xlsx
results/plots/
performance.ipynb
results/DEKOIS_RESULTS/results_dockm8_max.csv
results/DUD-E_RESULTS/results_dockm8_max.csv
tprm5.ipynb
results/DEKOIS_RESULTS/clustering and consensus top1.ipynb
dockm8 copy.ipynb
software/RTMScore-main/analysis.ipynb
results/DEKOIS_RESULTS/DEKOIS_targetclasses.xlsx
results/DEKOIS_RESULTS/results_dockm8_EF_1%.csv
results/DUD-E_RESULTS/DUD-E_results_dockm8_max.csv
results/DUD-E_RESULTS/results_dockm8_EF_1%.csv
results/Lit-PCBA_RESULTS/litpcba_results_dockm8_max.csv
results/Lit-PCBA_RESULTS/results_dockm8_EF_1%.csv
results/plots/DEKOIS_comparison_EF1_dark.png
results/plots/DUD-E_comparison_EF1_dark.png
results/plots/Lit-PCBA_comparison_EF1_dark.png
run1_smallPharmIT.ipynb
software/p2rank/
software/posecheck-main/
software/psovina
line_counter.py
PolA.ipynb
CACHE5.ipynb
PolA2.ipynb