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Batch D3 and SevenNetD3Model for Torch-Sim interface #300

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Batch D3 and SevenNetD3Model for Torch-Sim interface #300

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731336b
add pair_d3_for_ts for batch d3
alphalm4 Mar 25, 2026
f58ba88
add SevenNetD3Model in temporal torchsim_d3.py (and also with its ser…
alphalm4 Mar 25, 2026
7010cf4
update changelog
alphalm4 Mar 25, 2026
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3 changes: 2 additions & 1 deletion .pre-commit-config.yaml
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Expand Up @@ -65,5 +65,6 @@ repos:
^example_inputs/data/|
^sevenn/pair_e3gnn/comm_brick.cpp|
^sevenn/pair_e3gnn/pair_d3.cu|
^sevenn/pair_e3gnn/pair_d3_for_ase.cu
^sevenn/pair_e3gnn/pair_d3_for_ase.cu|
^sevenn/pair_e3gnn/pair_d3_for_ts.cu
)
1 change: 1 addition & 0 deletions CHANGELOG.md
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Expand Up @@ -4,6 +4,7 @@ All notable changes to this project will be documented in this file.
## [0.12.2.dev]
### Added
- Support OpenEquivariance
- Add Batch D3 and SevenNetD3Model in Torch-Sim interface

### Changed
- **[Breaking]** Rename optional dependency group `mliap` into `mliap12` (reflecting its CUDA 12.x dependency).
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