Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: ProDyn0: Inferring calponin homology domain stretching behavior using
  graph neural networks   Graph neural networks are a quickly emerging field for non-Euclidean data
that leverage the inherent graphical structure to predict node, edge, and
global-level properties of a system. Protein properties can not easily be
understood as a simple sum of their parts (i.e. amino acids), therefore,
understanding their dynamical properties in the context of graphs is attractive
for revealing how perturbations to their structure can affect their global
function. To tackle this problem, we generate a database of 2020 mutated
calponin homology (CH) domains undergoing large-scale separation in molecular
dynamics. To predict the mechanosensitive force response, we develop neural
message passing networks and residual gated graph convnets which predict the
protein dependent force separation at 86.63 percent, 81.59 kJ/mol/nm MAE, 76.99
psec MAE for force mode classification, max force magnitude, max force time
respectively-- significantly better than non-graph-based deep learning
techniques. Towards uniting geometric learning techniques and biophysical
observables, we premiere our simulation database as a benchmark dataset for
further development/evaluation of graph neural network architectures.

32
The categories of this paper are: atom-ph
19
The categories of this paper are: eess
36
The categories of this paper are: cmp-lg
34
The categories of this paper are: chem-ph
21
The categories of this paper are: adap-org
25
The categories of this paper are: patt-sol
2
The categories of this paper are: math
27
The categories of this paper are: comp-gas
22
The categories of this paper are: chao-dyn
29
The categories of this paper are: funct-an
9
The categories of this paper are: nlin
6
The categories of this paper are: astro-ph
30
The categories of this paper are: q-alg
4
The categories of this paper are: cond-mat
7
The categories of this paper are: hep-th
37
The categories of this paper are: supr-con