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License: GNU General Public License v3.0
Contains analysis code and raw data for HiMap manuscript
License: GNU General Public License v3.0
Notes compiled by M Pitman, 2022 This folder contains the raw data files and analysis scripts for HiMap v1.0 theoretical analyses ---------------------------------------------------------------------------- Files for: Calculation of eigenvalues of the Fisher information matrix Folder: ./eigen Files for: Calculation of Frobenius norm over varied edge number Folder: ./fnorm Files for: Theoretical mean squared error (MSE) of the changes in free energy Folder: ./mse Files for: Cycle number simulations and analysis Folder: ./cycles Files for: Efficiency Calculations Folder: ./efficiency Files for: Plotting of cost savings with clustering Folder: ./cost_savings Files for: Calculation of leverages and plots Folder: ./leverages Files for: Optimization of the BACE1 ligand set Note: SDF files left intentionally blank (temporary) Folder: ./bace1 Files for: Figure 2 Note: Janssen Pharmaceuticals dataset only includes similarty scores and randomly assigned names Folder: ./figure_2 Files for: checking the similarity diversity for SI figure Folder: ./check_diversity
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