v2.0.0-alpha.0
Pre-release
Pre-release
The very first alpha release of deepmd-kit version 2.0.0. It includes the following new features
- Model compression
- New descriptor: three body embedding
- Hybridization of descriptors
- Long-range modification
- Type embedding (under development)
- Training and inference the dipole (vector) and polarizability (matrix). (under development)
- Split of training and validation dataset. (under development)
- ROCm device support (under development)
Enhancements
- More efficient training: all customized OPs are implemented with GPU.
- Parallel training with multiple GPU support (under development)
Improvement of the code for developers
- Supports version of the model. Easily check model compatability
- Clear and pythonic python interface
- C++ API that can be tested independently
- OP supports multi-device.
Bug fixings:
- remove
using namespace std
. Solves compiling compatability problem. - added
deepmd
namespace for the C++ API