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Author:
Hassan Alhabeeb
License:
Apache License
Version 2.0, January 2004
http://www.apache.org/licenses/
TERMS AND CONDITIONS FOR USE, REPRODUCTI...
Summary:
Pure-PyTorch reimplementation of LAMMPS-AWSEM frustration analysis (Wolynes-lab AWSEM Hamiltonian + Ferreiro frustration index), GPU-accelerated.
Latest version:
0.1.3
Required dependencies:
biopython
|
numpy
|
pandas
|
torch
Optional dependencies:
black
|
matplotlib
|
pytest
|
pytest-xdist
|
ruff
|
torch
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