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Facing the computational chemistry trade-offs between accuracy and speed? Machine learning interatomic potentials (MLIPs) have emerged as a bridge, offering quantum accuracy at classical speeds. NVIDIA has introduced a collection of GPU-accelerated simulation building blocks that are designed to manage the data flow between accelerated chemistry and materials domain-specific kernels and deep learning models. NVIDIA ALCHEMI Toolkit extends beyond individual models and kernels to provide a modular, PyTorch-native structure for researchers and developers to compose custom simulation workflows. 🔗 Read the full post: https://t.co/jZ4LsGpva0 #PyTorch #OpenSourceAI #AI #Inference #Innovation

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