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