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Building Custom Atomistic Simulation Workflows for Chemistry and Materials Science with NVIDIA ALCHEMI Toolkit | NVIDIA Technical Blog

… Capabilities MLIP support MACE, TensorNet, AIMNet2 Composable calculators Standardized model configuration API example from beartype import beartype from super mlip import BestMLIPModel from nvalchemi. typing import ModelOutputs from nvalchemi.models.base import BaseModelMixin, ModelConfig, Neighbo… …

Apr 14, 2026 · Erica Tsai