| 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. | |