Release 1.1.0
Summary
This maintenance release includes software updates, minor bug fixes, and documentation improvements for NVIDIA NIM for Batched Molecular Dynamics.
Updates
- Model loading and configuration: Updated support for MACE-MP, AIMNet2 v2-format checkpoints, and TensorNet 2025.2 models.
- Periodic boundary conditions: Improved periodic and non-periodic configuration handling, including AIMNet2 operation in both modes.
- Trajectory output: Added atomic masses to molecular dynamics trajectory snapshots.
- DFT-D3 configuration: Corrected configuration handling and public environment variable names.
- Validation and readiness: Improved request validation and service readiness behavior.
- Documentation: Corrected and streamlined model setup, API, trajectory-analysis, and example documentation.