Composition-Conditioned-CrystalGAN
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Entering edit mode
18 months ago
Wiktoria ▴ 20

I followed the work of Composition-Conditioned-CrystalGAN (https://people.cs.vt.edu/dbhattacharya/courses/cs6824/Paper2.pdf) and generated some NumPy arrays. How do I now go about generating protein images from these? I managed to get the heat mat (same as in the slides) but cannot figure out how to use ADMM (is this the right path to follow? (https://web.stanford.edu/~boyd/papers/admm/basis_pursuit/basis_pursuit.html#5), and cannot find the remodelling file on Rosetta.

from mpl_toolkits.mplot3d import Axes3D
fig = plt.figure()
ax = fig.add_subplot(111, projection='3d')
ax.scatter(prot1[0, :, 0], prot1[0,:, 1], prot1[0,:, 2])
plt.show()

The code above gets the heat mat into a graph and now the issue is that I cannot visualise the coordinates as a protein structure.

gans proteinstructure proteinfolding pytorch • 295 views
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