Nvalchemi Toolkit
ALCHEMI Toolkit is a developer toolkit for accelerating training and inference for AI in chemistry and material science.
About
NVIDIA ALCHEMI Toolkit is a GPU-first Python framework for AI atomic simulations. Run batched molecular dynamics (MD) and relaxation, train or fine-tune machine-learned interatomic potentials (MLIPs), and scale the same composable workflows from one GPU to multi-GPU systems.
Open Source Health
- Stars
- 162
- Forks
- 37
- License
- Apache-2.0
- Last commit
- 26 days ago
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NVIDIA
Publisher of DALI (NVIDIA Data Loading Library) and Tensorrt
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