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Author:
Zemin Xu
Summary:
TACE - ST and ICT based equivariant atomistic model.
Latest version:
0.2.4
Required dependencies:
ase
|
configargparse
|
e3nn
|
huggingface-hub
|
hydra-core
|
lightning
|
lmdb
|
matplotlib
|
matscipy
|
numpy
|
omegaconf
|
pandas
|
scipy
|
torch
|
torch-geometric
Optional dependencies:
ase
|
cuequivariance
|
cuequivariance-ops-torch-cu12
|
cuequivariance-ops-torch-cu13
|
cuequivariance-torch
|
cupy-cuda12x
|
cupy-cuda13x
|
cython
|
filelock
|
matscipy
|
ninja
|
nvalchemi-toolkit
|
nvalchemi-toolkit-ops
|
openequivariance
|
openmm
|
openmm-ml
|
openmmtorch
|
pytest
|
ruff
|
torch-dftd
|
torch-sim-atomistic
|
vesin
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