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cdmbi
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malaria
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Calculate Descriptors.ipynb
Calculate Descriptors.ipynb
QSAR.ipynb
QSAR.ipynb
README.md
README.md
Tanimoto Heatmap.ipynb
Tanimoto Heatmap.ipynb
Target Retrival.ipynb
Target Retrival.ipynb
analysis.ipynb
analysis.ipynb
chemical_similarity_search.R
chemical_similarity_search.R
chemicalite.ipynb
chemicalite.ipynb
query_fp_GAMPO.Rds
query_fp_GAMPO.Rds
target_fps_10000.Rds
target_fps_10000.Rds
target_fps_100000.Rds
target_fps_100000.Rds
target_fps_110000.Rds
target_fps_110000.Rds
target_fps_120000.Rds
target_fps_120000.Rds
target_fps_20000.Rds
target_fps_20000.Rds
target_fps_30000.Rds
target_fps_30000.Rds
target_fps_40000.Rds
target_fps_40000.Rds
target_fps_50000.Rds
target_fps_50000.Rds
target_fps_60000.Rds
target_fps_60000.Rds
target_fps_70000.Rds
target_fps_70000.Rds
target_fps_80000.Rds
target_fps_80000.Rds
target_fps_90000.Rds
target_fps_90000.Rds
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