MACE-MPA-0 (medium) — JAX re-export by CuspAI =============================================== This artifact is a derivative work of MACE-MPA-0 medium. Original work ------------- Copyright (c) 2024 MACE-MP Licensed under the MIT License. See LICENSE for the full text. Upstream: https://github.com/ACEsuit/mace-foundations Modifications ------------- 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 ----------- Please cite Batatia et al. (2024), J. Chem. Phys. 163, 184110 (arXiv:2401.00096) when using this checkpoint in research.