SMT: The Surrogate Modeling Toolbox
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Updated
Sep 8, 2026 - Jupyter Notebook
SMT: The Surrogate Modeling Toolbox
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
A Large-Scale Multimodal Car Dataset with Computational Fluid Dynamics Simulations and Deep Learning Benchmarks
Surrogate modeling and optimization for scientific machine learning (SciML)
Surrogate Optimization Toolbox for Python
Efficient global optimization toolbox in Rust: bayesian optimization, mixture of gaussian processes, sampling methods
Applications of PINOs
Encoding physics to learn reaction-diffusion processes
[Neurips 2024] A benchmark suite for autoregressive neural emulation of PDEs. (≥46 PDEs in 1D, 2D, 3D; Differentiable Physics; Unrolled Training; Rollout Metrics)
A foundation model to learn multiple physical systems at once
Sandia Uncertainty Quantification Toolkit
3D CNN to predict single-phase flow velocity fields
A framework based on the tensor train decomposition for working with multivariate functions and multidimensional arrays
linear and non-linear solvers, time integration, roms
An easy to use interface to gravitational wave surrogate models
Python interface to automatically formulate Machine Learning models into Mixed-Integer Programs
A hydraulic surrogate model and real-time control methods of urban drainage networks.
Dimension reduced surrogate construction for parametric PDE maps
AI-Powered Micro Turbojet Engine Design System — Computational engineering for autonomous engine design
Multi-fidelity Generative Deep Learning Turbulent Flows
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