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update ocp internal model
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Eipgen authored Jan 9, 2024
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Expand Up @@ -148,9 +148,9 @@ Training and simulating MD with ML force fields
We demonstrate that force-centric GNN models without any explicit physical constraints are able to predict atomic forces more accurately than state-of-the-art energy centric GNN models, while being faster both in training and inference.
- [DIG](https://github.com/divelab/DIG)
A library for graph deep learning research.
- [scn](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/scn)
- [scn](https://github.com/Open-Catalyst-Project/ocp)
Spherical Channels for Modeling Atomic Interactions
- [spinconv](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/spinconv.py)
- [spinconv](https://github.com/Open-Catalyst-Project/ocp)
Rotation Invariant Graph Neural Networks using Spin Convolutions.
- [HIPPYNN](https://github.com/lanl/hippynn)
a modular library for atomistic machine learning with pytorch.
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