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None
License:
BSD 3-Clause License
Copyright (c) 2026, The Molecular Sciences Software Institute (MolSSI)
All rights reserved.
Redistribution and use in source and binary f...
Summary:
MDI engine drivers for LAMMPS — MACE and other ML forcefields via MolSSI Driver Interface
Latest version:
0.1.8
Required dependencies:
mace-torch
|
matscipy
|
pint
Optional dependencies:
black
|
cuequivariance
|
cuequivariance-torch
|
lammps-mdi
|
pytest
|
pytest-xdist
|
ruff
|
sphinx
|
sphinx-rtd-theme
|
vesin-torch
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