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Release AlphaNet v0.1.1
Major Changes
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Jax version to speed up
- Provide 3x speedup AlphaNet written in JAX, with a FLAX version and HaiKu version.
- Users can convert the checkpoint trained in torch to our JAX model, we are the only one providing this
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Added tuned Ziegler–Biersack–Littmark (ZBL) potential to stablize AlphaNet
- We followed the ZBL theory, and fitted our own ZBL potential by calculated ~7,000 diatom systems.