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+kinase_structure_14_13042.json,13042,GPRK5,Human,14,6pjx,A,A,0.777,2.091,RVLGKGGFGEVCAYACKRLMALNEKQILEKVNQFVVNLAYACLVLTIMNGGDLKFHIYNDLHHENTVYRDLKPENILLISDLGLA,1.96,8,0,0,SGV,0,in,in,162.021,539.838,785.911,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,FALSE,GPRK5,GRK5,GRK,AGC,GRK,Gprotein-coupledreceptorkinase5,P34947,1469,0000000000000010000001000000000000000000000000000000000000000000000000100000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000100100000010010000000000000000000000001000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000100000000000000000000100000000000000000000000000000000000000000 diff --git a/tSNETest.py b/tSNETest.py new file mode 100644 index 0000000..98c2991 --- /dev/null +++ b/tSNETest.py @@ -0,0 +1,51 @@ +import pandas as pd +from sklearn.manifold import TSNE +import seaborn as sns +from matplotlib import pyplot as plt +import os + +#Make sure working directory is the same! +os.getcwd() +os.chdir("C:\\Users\\Jonathan\\Desktop\BPS - RP1\\January\Week 12 - 11-01-2021\\15 January") + +df = pd.read_csv('output_data_warrior.csv', error_bad_lines=False) +# print(df.shape) +df_select = df[["rmsd1", "rmsd2"]] +# print(df_select) + +# Text below was a try to show fingerprints (still possible, but unsure what use the plot would have) +# df_length = len(df_select) +# finger = Fingerprints[5] +# print(finger) + +# for x in range(df_length): +# finger = Fingerprints[x] +# df_select = df_select[x].update(finger) + +# df_select = df_select.apply (pd.to_numeric, errors='coerce') +# df_select = df_select.dropna() +# df_select = df_select.apply (pd.to_numeric, errors='coerce') +# df_select = df_select.dropna() +# print(df_select) + +#Sets out the 2 selected columns from df_select against each other +m = TSNE(learning_rate=40) +tsne_features = m.fit_transform(df_select) +tsne_features[1:4, :] + +df['tsne-2d-one']=tsne_features[:,0] +df['tsne-2d-two']=tsne_features[:,1] + +plt.figure(figsize=(16,10)) +sns.scatterplot( + x="tsne-2d-one", y="tsne-2d-two", + hue="tsne-2d-two", + palette=sns.color_palette("flare", as_cmap=True), + data=df, + legend="brief", + alpha=0.7 +) +print("Created plot!") + +# sns.scatterplot(x="x", y="y", hue="y", palette=sns.color_palette("hls", 2), data=df, legend="full") +# plot.show() \ No newline at end of file