MatterSim v1.0.0 — JAX re-export by CuspAI ============================================ This artifact is a derivative work of MatterSim v1.0.0 (checkpoints MatterSim-v1.0.0-1M and MatterSim-v1.0.0-5M). Original work ------------- Copyright (c) Microsoft Corporation. Licensed under the MIT License. See LICENSE for the full text. Upstream: https://github.com/microsoft/mattersim Modifications ------------- CuspAI re-exported the upstream PyTorch checkpoints (MatterSim-v1.0.0-1M.pth, MatterSim-v1.0.0-5M.pth) to JAX computation graphs using tojax (https://github.com/cusp-ai-oss/tojax), producing one .zip per checkpoint. 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 .pth to a .zip containing a jax.export graph plus msgpack-encoded parameters. Attribution ----------- Please cite Yang et al. (2024), arXiv:2405.04967, when using these checkpoints in research. Per the upstream guidance, the exact model version (e.g. "MatterSim-v1.0.0-1M") should be reported, not the generic "MatterSim". Trademarks ---------- "MatterSim" and "Microsoft" are trademarks of Microsoft Corporation. Use of these trademarks is subject to Microsoft's Trademark & Brand Guidelines (https://www.microsoft.com/en-us/legal/intellectualproperty/trademarks/usage/general). This re-export is not endorsed by or affiliated with Microsoft.