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exp_061
exp_061
 
 
Bergamotene_and_adducts.ipynb
Bergamotene_and_adducts.ipynb
 
 
CodeReview_125255.ipynb
CodeReview_125255.ipynb
 
 
Datacube_browsing_with_bokeh.ipynb
Datacube_browsing_with_bokeh.ipynb
 
 
Game_of_life.ipynb
Game_of_life.ipynb
 
 
MAF_on_images.ipynb
MAF_on_images.ipynb
 
 
MS2_frag_isotopic_fine_structure_via_ecipex.ipynb
MS2_frag_isotopic_fine_structure_via_ecipex.ipynb
 
 
README.md
README.md
 
 
analyzing_structures_of_SGTC_compound_libraries.ipynb
analyzing_structures_of_SGTC_compound_libraries.ipynb
 
 
calibrate_and_quantify_gerganas_data.ipynb
calibrate_and_quantify_gerganas_data.ipynb
 
 
chemical_similarity_in_python.ipynb
chemical_similarity_in_python.ipynb
 
 
combining_two_datasets.ipynb
combining_two_datasets.ipynb
 
 
conformations.ipynb
conformations.ipynb
 
 
dbscan_with_unequal_cluster_sizes.ipynb
dbscan_with_unequal_cluster_sizes.ipynb
 
 
demo_data_exploration.ipynb
demo_data_exploration.ipynb
 
 
demo_mysql_connection.ipynb
demo_mysql_connection.ipynb
 
 
environment.yml
environment.yml
 
 
example_sciex_multiMS1scantypes.mzML
example_sciex_multiMS1scantypes.mzML
 
 
fit_kinetics_data.ipynb
fit_kinetics_data.ipynb
 
 
force_pretty_macrocycles.ipynb
force_pretty_macrocycles.ipynb
 
 
genetic_vs_chemical_distance_try_2.ipynb
genetic_vs_chemical_distance_try_2.ipynb
 
 
hierarchical_clustering_of_chemical_structures.ipynb
hierarchical_clustering_of_chemical_structures.ipynb
 
 
image_registration_in_python.ipynb
image_registration_in_python.ipynb
 
 
liver_neg_PAMERA_analysis.ipynb
liver_neg_PAMERA_analysis.ipynb
 
 
neural_network_vs_kmeans.ipynb
neural_network_vs_kmeans.ipynb
 
 
neural_networks_on_atoms.ipynb
neural_networks_on_atoms.ipynb
 
 
numpy_histogram_bins_edges_vs_centers.ipynb
numpy_histogram_bins_edges_vs_centers.ipynb
 
 
pool_size_from_mid_measurement.ipynb
pool_size_from_mid_measurement.ipynb
 
 
rdkit_smarts_reactions_needs_updating.ipynb
rdkit_smarts_reactions_needs_updating.ipynb
 
 
rpy2_with_the_R_package_ecipex.ipynb
rpy2_with_the_R_package_ecipex.ipynb
 
 
simplePCA_on_images.ipynb
simplePCA_on_images.ipynb
 
 
simple_CUR_on_images.ipynb
simple_CUR_on_images.ipynb
 
 
simple_kmeans_on_images.ipynb
simple_kmeans_on_images.ipynb
 
 
smarts_queries_in_rdkit.ipynb
smarts_queries_in_rdkit.ipynb
 
 
thermal_shift_simulation.ipynb
thermal_shift_simulation.ipynb
 
 
timing_and_scaling_pca.ipynb
timing_and_scaling_pca.ipynb
 
 
understanding_keras_CNNs.ipynb
understanding_keras_CNNs.ipynb
 
 
visualize_tacrolimus_conformation.ipynb
visualize_tacrolimus_conformation.ipynb
 
 
xcms_helper.r
xcms_helper.r
 
 

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ipython_notebooks

examples of statistical methods and data analysis in python

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examples of statistical methods and data analysis in python

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