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def f(x): | |
return (x**3 + x**2 + x + 1) / (x**2 + x + 1) | |
x = np.linspace(0,10,100) | |
plt.plot(x, f(x)) | |
plt.plot(x,x) |
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CLUSTAL | |
0ANNOTATION/1-2208 B1N---B1N~B1C-------B1C--------B1~B2-------B2---------B2~B3- | |
AGC_AKT1/150-408 FEYL----------------KLLGKGT----------------FGKVILVKE--ka---- | |
AGC_AKT2/152-409 FDYL----------------KLLGKGT----------------FGKVILVRE--ka---- | |
AGC_AKT3/148-405 FDYL----------------KLLGKGT----------------FGKVILVRE--ka---- | |
AGC_CDC42BPA/77-343 FEIL----------------KVIGRGA----------------FGEVAVVKL--kn---- | |
AGC_CDC42BPB/76-342 FEII----------------KVIGRGA----------------FGEVAVVKM--kn---- | |
AGC_CDC42BPG/71-337 FEIL----------------KVIGRGA----------------FGEVTVVRQ--rd---- | |
AGC_CIT/97-360 FEVR----------------SLVGCGH----------------FAEVQVVRE--ka---- |
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from rdkit import Chem | |
import numpy as np | |
from rdkit.Chem import AllChem | |
from rdkit.Geometry import Point3D | |
from scipy.spatial.distance import squareform, pdist | |
import copy | |
import py3Dmol |
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import keras | |
import tensorflow as tf | |
class D2M(keras.layers.Layer): | |
""" | |
Converts an EDM `D` to its Gram matrix representation `M`. | |
""" | |
def call(self, inputs, **kwargs): | |
batch_size = tf.shape(inputs)[0] | |
n_atoms = tf.shape(inputs)[1] |
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