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mhaham/uma-les main

References multiple AI or ML asset extensionsLoads a PyTorch checkpoint
SHA-25695d9d8de89fc6d34f8605ca96ce63639d9af8d7ae8ef3f16b3eca5afb7fd0dfa
MaleculeH₂(Db₂F)

Evidence

Loads a PyTorch checkpoint lines 1–7
1import torch
2
3# Load the custom FAIRChem checkpoint object
4ckpt = torch.load("inference_ckpt.pt", map_location="cpu", weights_only=False)
5
6# It's a standard dictionary, so we assign the keys directly to expose the analytical gradients
7ckpt.model_config[ …
Python module-level function call lines 13–17
13:24… backbone"]["regress_stress"] = True
14
15# Save the modified object
16torch.save(ckpt, "inference_ckpt_with_gradients.pt")
17print("Success! Created inference_ckpt_with_gradients.pt")

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