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materialyze/TensorNet-PES-MatPES-r2SCAN-2025.2-m

sourceHugging Faceupdated 4mo agoView on Hugging Face
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3 commits on main
0e4ef644mo ago

Fix tensor_embedding.distance_proj for stock (PyG) matgl: split the fused Warp distance_proj [3*units] into distance_proj1/2/3 [units] (exact reshape). The fused form silently random-initialized on non-Warp matgl (load_state_dict strict=False), breaking the model; the split loads cleanly on PyG matgl and merges back under Warp. Si bulk modulus restored to the DFT reference.

yiqingchen
53dbdf44mo ago

Initial upload: TensorNet-PES-MatPES medium variant (units=128, nblocks=3)

yiqingchen
08007e24mo ago

initial commit

yiqingchen