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@ljmartin
ljmartin / smooth_one.py
Created July 4, 2022 03:32
a function that looks like y=x at a distance, but smoothly goes to 1 instead of 0.
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)
This file has been truncated, but you can view the full file.
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
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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