deepmodeling / deepmodeling/DMFF
[Feature Request] Refactor the cpp interface of the saved DMFF jax model with MD engine
- Dominant language
- Python
- Stars
- 198
- Forks
- 49
- PR merge metrics
- No merged PRs in 30d
Description
### Summary
Moving the `jax2tf` to `HLOModule` for the cpp interface of the saved DMFF model.
### Motivation
The current implementation of the cpp interface between the saved DMFF model and MD engine was based on the [jax2tf](https://github.com/google/jax/tree/jaxlib-v0.4.25/jax/experimental/jax2tf).
The `jax2tf` was used to convert the the jax function to TensorFlow function.
However, as an experimental feature of JAX, `jax2tf` does have some limitations for production use.
1. Limited support for custom calls. https://github.com/google/jax/tree/jaxlib-v0.4.25/jax/experimental/jax2tf#native-serialization-supports-only-select-custom-calls.
Occurred when using JAX 0.4.24 + TF 2.15/2.14
2. Unsupported data type f64, s64,

### Suggested Solutions
https://github.com/google/jax/issues/1871
Old solution.
Lack of documentation, more exploration required
### Further Information, Files, and Links
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