metatomic-torchsim
TorchSim integration for metatomic models.
This package allows you to wrap metatomic models as TorchSim ModelInterface
instances, enabling their use in TorchSim molecular dynamics and other
simulation workflows.
Installation
pip install metatomic-torchsim
Usage
from metatomic_torchsim import MetatomicModel
# From a saved .pt model
model = MetatomicModel("model.pt", device="cuda")
# Use with TorchSim
output = model(sim_state)
energy = output["energy"]
forces = output["forces"]
stress = output["stress"]
For full documentation, see the torch-sim engine page in metatomic documentation.
Release files for metatomic-torchsim 0.1.7
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| metatomic_torchsim-0.1.7.tar.gz | 12.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| metatomic_torchsim-0.1.7-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 23.5 kB
Release files / metatomic_torchsim-0.1.7.tar.gz
| Download URL | metatomic_torchsim-0.1.7.tar.gz |
|---|---|
| Size | 12.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Release files / metatomic_torchsim-0.1.7-py3-none-any.whl
| Download URL | metatomic_torchsim-0.1.7-py3-none-any.whl |
|---|---|
| Size | 10.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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| Uploaded via |
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