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80c830b | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 | MACE-MPA-0 (medium) — JAX re-export by CuspAI
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This artifact is a derivative work of MACE-MPA-0 medium.
Original work
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Copyright (c) 2024 MACE-MP
Licensed under the MIT License. See LICENSE for the full text.
Upstream: https://github.com/ACEsuit/mace-foundations
Modifications
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CuspAI re-exported the upstream PyTorch checkpoint
(mace-mpa-0-medium.model) to a JAX computation graph using tojax
(https://github.com/cusp-ai-oss/tojax). The model weights and architecture
are unchanged, bit-for-bit, from the upstream release. Numerical agreement
with the PyTorch reference was verified within rtol=1e-4, atol=1e-4 during
export. The file format changed from .model to a .zip containing a
jax.export graph plus msgpack-encoded parameters.
Attribution
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Please cite Batatia et al. (2024), J. Chem. Phys. 163, 184110
(arXiv:2401.00096) when using this checkpoint in research.
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