

Open-source simulation, CAD & meshing tools for agentic / LLM-driven engineering — driveable headless via MCP, Python, or CLI (no GUI-only tools). The only CAE list with a weekly agent-callability ranking. Ranked by callability, not stars.
110+ tools · 3 MCP servers · 2 AI-Native · machine-readable JSON / CSV · weekly-regenerated ranking
Scope: agent-callable CAE/CAD/CAM tools, plus a small set of adjacent Datasets & Learning Resources for context.
🚀 Quickstart · 🏆 Index · 📊 Methodology
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Contents
Three tools here ship a Model Context Protocol server, so an agent (Claude Desktop, Cursor, Cline…) drives them with zero glue code. Add one to your MCP client config:
{
"mcpServers": {
"viznoir": { "command": "uvx", "args": ["viznoir"] }
}
}
| MCP server | Ask your agent | Install |
| viznoir | "Render this OpenFOAM case as a cinematic volume animation." | uvx viznoir |
| ParaView-MCP | "Open this VTK file, color by pressure, screenshot it." | see repo |
| OpenFOAM-MCP | "Set up a pipe-flow case and explain the turbulence model." | see repo |
Exact launch command lives in each server’s README. No MCP? Every other tool is Python/CLI-scriptable — your agent calls it the same way you would.
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AI-Readiness Index
The headline metric: tools ranked by agent-callability — MCP, Python API, CLI, maintenance — not stars. Auto-updated weekly by readiness-score.py. Full table: READINESS.md · machine-readable: data/readiness.json.
| # | Score | Grade | Tool | Interfaces | ⭐ |
| 🥇 | 95 | 🟢 AI-Native | llnl/paraview_mcp | MCP, Python, pip | 69 |
| 🥈 | 93 | 🟢 AI-Native | kimimgo/viznoir | MCP, Python, pip ✅ | 19 |
| 🥉 | 65 | 🔵 Agent-Ready | taichi-dev/taichi | Python, pip ✅ | 28,409 |
| 4 | 65 | 🔵 Agent-Ready | google-deepmind/mujoco | Python, pip | 15,630 |
| 5 | 65 | 🔵 Agent-Ready | rerun-io/rerun | Python, pip | 11,583 |
| 6 | 65 | 🔵 Agent-Ready | google-deepmind/graphcast | Python, pip | 7,705 |
| 7 | 65 | 🔵 Agent-Ready | NVIDIA/warp | Python, pip | 7,185 |
| 8 | 64 | 🔵 Agent-Ready | CadQuery/cadquery | Python, pip ✅ | 5,921 |
| 9 | 64 | 🔵 Agent-Ready | libigl/libigl | Python, pip | 5,105 |
| 10 | 64 | 🔵 Agent-Ready | PolymathicAI/the_well | Python, pip | 4,468 |
| 11 | 64 | 🔵 Agent-Ready | lululxvi/deepxde | Python, pip | 4,463 |
| 12 | 64 | 🔵 Agent-Ready | NeuralOperator/neuraloperator | Python, pip | 3,952 |
| 13 | 64 | 🔵 Agent-Ready | pyvista/pyvista | Python, pip ✅ | 3,845 |
| 14 | 64 | 🔵 Agent-Ready | mikedh/trimesh | Python, pip ✅ | 3,697 |
| 15 | 64 | 🔵 Agent-Ready | meta-pytorch/botorch | Python, pip | 3,618 |
🟢 2 AI-Native · 🔵 61 Agent-Ready · 🟡 28 Scriptable · ⚪ 23 Experimental — across 114 ranked tools (updated 2026-10-12). ✅ = install + import execution-verified. Full ranking →
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How the Score Works
The AI-Readiness Score (0–100) ranks tools by how directly an autonomous agent can drive them — callability over popularity.
| Signal | Points | Why it matters to an agent |
| MCP server | 35 | The agent calls it with zero glue code |
| Python API | 25 | Native scripting |
| CLI / REST | 15 | Headless automation |
| pip-installable | +15 | One-command install (verified on PyPI) |
| Maintained (<6 mo) | 15 | Won't rot mid-project |
| Adoption (stars) | 10 | log-scaled — popularity barely moves the needle |
The five base signals (MCP + Python + CLI + Maintained + Adoption) total 100; pip is an additive bonus, and the final score is capped at 100. So a tool can reach 100 several ways, but only MCP servers clear the AI-Native bar.
Grades:

Scores regenerate weekly from README.md via readiness-score.py — fully reproducible, no hand-tuning. Open a PR adding a tool and a bot scores it automatically.
Verified vs declared
Honest about what’s checked.
Verified (objective, reproducible) — live GitHub stars/activity; PyPI availability; and an install + import smoke-test (verify_install.py → data/verified.json) that spins up an isolated uv venv, runs pip install + import, and records the result. Tools that pass are marked ✅ in the Index. Current run: 8/10 flagship tools pass; the 2 misses are recorded honestly — Gmsh needs a system GL lib, DeepXDE needs a chosen backend.
Declared (from the entry’s tags) — MCP and CLI/API. We link the server/CLI; we don’t yet replay an end-to-end agent call.
Roadmap (deepening the moat) — execution-verified MCP handshakes and headless runs, plus a per-tool agent-call transcript, so the score reflects tools an agent has actually driven, not just ones that expose an interface.
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Core Engine Readiness
A hand-curated editorial deep-dive on 17 foundational solvers — capability columns (Python binding, headless, Docker, AI-native) reflect maintainer judgment, ⭐ is live. This complements the auto-generated Index above, which stays the single source of truth for scores. Only 2 engines have MCP integration today.
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MCP Servers
AI agents call these directly via Model Context Protocol.
- kimimgo/viznoir
Python MCP - Cinema-quality science visualization. 22 tools for rendering, slicing, contouring, volume rendering, and animating OpenFOAM/VTK/CGNS data via VTK. Headless EGL/OSMesa.
- llnl/paraview_mcp
Python MCP - Natural language control of ParaView via MCP. Multimodal LLM observes viewport for visual feedback (LLNL).
- webworn/openfoam-mcp-server
C++ MCP - OpenFOAM MCP server with Socratic questioning for CFD education and expert error resolution.
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CFD — Computational Fluid Dynamics
Open-source solvers for fluid flow, heat transfer, and multiphysics.
- OpenFOAM/OpenFOAM-dev
C++ - The open source CFD toolbox. Finite volume solvers for incompressible/compressible flow, multiphase, combustion, heat transfer.
- su2code/SU2
C++ Python - Multiphysics simulation and design optimization. Compressible/incompressible flow, structural analysis, adjoint-based design.
- LLNL/Nek5000
Fortran - High-order spectral element CFD solver. DNS/LES of turbulent flows. Scalable to millions of cores.
- Nek5000/nekRS
C++ CUDA - GPU-accelerated spectral element CFD. Successor to Nek5000 with native CUDA/HIP/OpenCL support.
- precice/precice
C++ Python - Coupling library for multi-physics simulations. Fluid-structure interaction, conjugate heat transfer.
- ProjectPhysX/FluidX3D
C++ CUDA - GPU-accelerated Lattice Boltzmann fluid simulator. Real-time 3D visualization, scriptable via Python subprocess, supports multi-GPU.
- PyFR/PyFR
Python - High-order flux reconstruction CFD on mixed unstructured grids. GPU-accelerated (CUDA/OpenCL/HIP).
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FEA — Finite Element Analysis
Structural, thermal, and multiphysics FEM solvers.
- CalculiX
Fortran C - Free 3D structural FEM. Linear/nonlinear static, dynamic, thermal analysis. Abaqus INP compatible.
- dealii/dealii
C++ - Adaptive finite elements. Supports hp-refinement, multigrid, and parallel distributed computing.
- ElmerCSC/elmerfem
Fortran C++ - Multiphysics FEM solver. Fluid dynamics, structural mechanics, electromagnetics, heat transfer. CSC Finland.
- FEniCS/dolfinx
C++ Python - Next-generation FEniCS. Automated PDE solving with high-level Python/C++ interface. Parallel, scalable.
- firedrakeproject/firedrake
Python - Automated FEM with code generation from high-level problem descriptions. UFL domain-specific language.
- FreeFem/FreeFem-sources
C++ - Partial differential equation solver using finite element method. High-level scripting language for 2D/3D problems.
- idaholab/moose
C++ Python - Multiphysics Object-Oriented Simulation Environment. Coupled physics FEM framework from Idaho National Lab.
- KratosMultiphysics/Kratos
C++ Python - Framework for multi-physics FEM. Structural, fluid, thermal, contact, FSI.
- mfem/mfem
C++ - High-order finite element library. Supports GPU acceleration, AMR, and dozens of physics applications.
- OpenSees/OpenSees
C++ - Open system for earthquake engineering simulation. Structural and geotechnical response analysis. Berkeley.
- sfepy/sfepy
Python - Simple Finite Elements in Python. Solve PDEs by FEM in 1D, 2D, and 3D with plain Python scripting.
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SPH — Smoothed Particle Hydrodynamics
Meshless particle methods for free-surface flows and fluid-structure interaction.
- DualSPHysics/DualSPHysics
C++ CUDA - GPU-accelerated SPH solver. Free-surface flows, wave generation, fluid-structure interaction, floating bodies.
- InteractiveComputerGraphics/SPlisHSPlasH
C++ - Physically-based SPH fluid simulation. DFSPH, IISPH, PBF pressure solvers. Viscosity, surface tension.
- pypr/pysph
Python Cython - SPH framework in Python. Compressible/incompressible flows, solid mechanics, coupled problems.
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DEM — Discrete Element Method
Particle-based simulation of granular materials, powders, and coupled particle-fluid systems.
- CFDEMproject/LIGGGHTS-PUBLIC
C++ - Industry-standard open-source DEM for granular materials. LAMMPS-based with heat transfer and CFD coupling.
- lammps/lammps
C++ Python - Large-scale Atomic/Molecular Massively Parallel Simulator. Classical MD and DEM with granular package. Sandia National Labs.
- MercuryDPM
C++ - Open-source DEM for granular and particle-laden flows. Coarse-graining, contact models, and the MercuryCG analysis toolkit.
- SudoDEM/SudoDEM
C++ Python - DEM for non-spherical particles. Polyhedra, super-ellipsoids, and cylinders for realistic granular simulations.
- Yade
C++ Python - Extensible open-source DEM framework. Python scripting, deformable particles, coupled DEM-FEM and DEM-fluid problems.
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Visualization & Post-processing
Rendering, plotting, and interactive exploration of simulation results.
- fury-gl/fury
Python - Free Unified Rendering in Python. VTK-based scientific visualization, 3D animations, and streamline rendering with a NumPy-friendly API.
- InsightSoftwareConsortium/itkwidgets
Python - Interactive Jupyter widgets for 3D visualization of images, point sets, and meshes. Built on ITK and vtk.js.
- kimimgo/viznoir
Python MCP - Cinema-quality science visualization MCP server. 22 tools, EGL/OSMesa headless, cinematic lighting, physics animations.
- Kitware/ParaView
C++ Python - Multi-platform data analysis and visualization. VTK-based GUI + Python scripting + client-server architecture.
- Kitware/trame
Python - Build interactive scientific web applications purely in Python. Integrates VTK and ParaView for server-side or local 3D rendering.
- Kitware/VolView
TypeScript - Browser-based 3D radiological viewer for DICOM. Volume rendering, annotations, and measurements that run fully client-side.
- Kitware/VTK
C++ Python - The Visualization Toolkit. 3D computer graphics, image processing, scientific visualization. Industry standard.
- Kitware/vtk-js
JavaScript - Visualization Toolkit for the Web. WebGL/WebGPU scientific visualization and volume rendering entirely in the browser.
- marcomusy/vedo
Python - Scientific analysis and visualization of 3D objects and point clouds. VTK-based with simple API.
- napari/napari
Python - Fast n-dimensional image viewer. Plugin ecosystem for biomedical and scientific imaging.
- nmwsharp/polyscope
C++ Python - Lightweight 3D viewer for meshes, point clouds, and scalar fields. One-line visualization for geometry processing.
- plotly/plotly.py
Python - Interactive, publication-quality graphs. 3D scatter, surface, mesh, volume. Web-based rendering.
- pyvista/pyvista
Python - Pythonic VTK. Streamlined 3D plotting, mesh analysis, and interactive visualization.
- rerun-io/rerun
Rust Python - Multi-modal data logging and visualization SDK. Stream, store, and replay simulation data with Python API.
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CAD & Geometry
Parametric modeling, geometry processing, and CAD data exchange.
- CadQuery/cadquery
Python - Parametric 3D CAD scripting. Build models with Python, export STEP/STL/IGES. OpenCASCADE kernel.
- CadQuery/OCP
C++ Python - Python wrapper for OpenCASCADE via pybind11. Low-level foundation for CadQuery and build123d.
- FreeCAD/FreeCAD
C++ Python - Open-source parametric 3D CAD modeler. Part design, FEM workbench, BIM, path (CAM).
- gumyr/build123d
Python - Modern Python CAD with algebraic geometry API. Successor to CadQuery with cleaner builder pattern.
- mikedh/trimesh
Python - Load and manipulate triangular meshes. Boolean operations, ray tracing, convex hulls, format conversion.
- nschloe/pygmsh
Python - Python interface for Gmsh. Scripted geometry + mesh generation with parametric control.
- Open-Cascade-SAS/OCCT
C++ - Open CASCADE Technology. Kernel for 3D surface and solid modeling, CAD data exchange (STEP/IGES).
- SolidCode/SolidPython
Python - Python frontend for OpenSCAD. Generate 3D models programmatically with CSG operations.
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Mesh Generation
Structured, unstructured, and AI-driven mesh generation for simulation preprocessing.
- buaacyw/MeshAnything
Python - Artist-quality mesh generation with autoregressive transformers. Any 3D input to mesh (ICLR 2025 spotlight).
- buaacyw/MeshAnythingV2
Python - Adjacent Mesh Tokenization for efficient artist-quality mesh generation. Faster and higher-quality than V1 (ICCV 2025).
- CGAL/cgal
C++ - Computational Geometry Algorithms Library. Mesh generation, triangulation, Boolean operations, convex hulls.
- Gmsh
C++ Python - Full-featured 3D finite element mesh generator. CAD engine, structured/unstructured meshing, built-in post-processing.
- libigl/libigl
C++ Python - Header-only geometry processing library. Mesh parameterization, deformation, Boolean ops. Eurographics award winner.
- MmgTools/mmg
C - Anisotropic mesh adaptation for 2D/3D surface and volume remeshing. Metric-based automatic refinement.
- NGSolve/netgen
C++ Python - Automatic 3D tetrahedral mesh generator. CAD (OCC) integration, mesh optimization, parallel meshing.
- nmwsharp/geometry-central
C++ - Applied geometry algorithms for surfaces and volumes. Geodesics, vector fields, intrinsic triangulations.
- OpenMeshLab/MeshXL
Python - Foundation model for 3D mesh generation. Pre-trained on Objaverse, text-to-mesh capable (NeurIPS 2024).
- PyMesh/PyMesh
Python C++ - Geometry processing library. Boolean, convex hull, remeshing, self-intersection repair.
- pyvista/tetgen
C++ Python - Python interface to TetGen tetrahedral mesh generator. Constrained Delaunay tetrahedralization with quality control.
- wildmeshing/fTetWild
C++ - Fast and robust tetrahedral meshing. Handles self-intersections and degenerate input. Ten times faster than TetWild.
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Differentiable Simulation
GPU-native frameworks for gradient-based optimization through physics.
- Autodesk/XLB
Python JAX - Differentiable Lattice Boltzmann for physics-ML. Scales to billions of cells on multi-GPU.
- google/brax
Python JAX - Massively parallel rigidbody physics on accelerator hardware. Millions of steps/second on TPU.
- jax-md/jax-md
Python JAX - Differentiable, hardware-accelerated molecular dynamics. Runs on CPU/GPU/TPU via XLA.
- gbionics/jaxsim
Python JAX - Differentiable multibody dynamics engine. Hardware-accelerated robot learning and control via JAX.
- google-deepmind/mujoco
C++ Python - Multi-joint dynamics with contact. General-purpose physics engine for robotics, biomechanics, and control.
- NVIDIA/warp
Python CUDA - Differentiable simulation and spatial computing. Reverse-mode AD, PyTorch/JAX interop.
- rtqichen/torchdiffeq
Python PyTorch - ODE and SDE solvers with automatic differentiation. Adjoint-based backpropagation through continuous-time dynamics.
- taichi-dev/taichi
Python CUDA - Productive GPU programming with automatic differentiation. DiffTaichi for differentiable physics.
- tumaer/JAXFLUIDS
Python JAX - Fully-differentiable CFD solver for 3D compressible single-phase and two-phase flows.
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AI/ML for Simulation
Neural operators, LLM agents, and foundation models for computational engineering.
- csml-rpi/Foam-Agent
Python API - AI agent for automated CFD workflows. LLM-driven OpenFOAM simulation setup and execution.
- deepmodeling/deepmd-kit
Python C++ - Deep learning for molecular dynamics. Neural network potentials for large-scale atomistic simulations.
- dynamicslab/pykoopman
Python - Data-driven Koopman operator approximation. Dynamical system analysis and prediction from time series.
- dynamicslab/pysindy
Python - Sparse Identification of Nonlinear Dynamics. Data-driven discovery of governing equations from measurements.
- google-deepmind/graphcast
Python - Graph neural network for medium-range weather forecasting. Ten-day forecasts in under a minute (Nature 2023).
- google/jax-cfd
Python - JAX-based CFD. Differentiable Navier-Stokes solvers. GPU-accelerated, auto-differentiable.
- Koopman-Laboratory/KoopmanLab
Python - Koopman Neural Operator for mesh-free nonlinear PDE solving. Multi-scale decomposition.
- lululxvi/deepxde
Python - Deep learning library for PDEs. PINNs, DeepONet. Backends: TensorFlow, PyTorch, JAX, PaddlePaddle.
- microsoft/aurora
Python - Foundation model for Earth system prediction. Atmosphere, ocean, air quality. Pre-trained on ERA5 and CMIP6.
- microsoft/ClimaX
Python - Foundation model for weather and climate. Pre-trained on CMIP6, fine-tunable for downstream tasks.
- microsoft/mattergen
Python - Generative model for novel inorganic materials design. Diffusion-based crystal structure generation with target property conditioning.
- NeuralOperator/neuraloperator
Python - Neural operators in PyTorch. FNO, SFNO, UNO for learning PDE solution operators.
- NVIDIA/earth2studio
Python - AI-driven Earth system forecasting framework. Built-in model zoo (FourCastNet, Pangu-Weather, CorrDiff, GraphCast).
- NVIDIA/physicsnemo
Python CUDA - Physics-ML framework (formerly Modulus). PINNs, neural operators, GNNs, diffusion models. Apache 2.0.
- Terry-cyx/MetaOpenFOAM
Python API - LLM-based multi-agent framework for CFD. Automated simulation pipeline from natural language.
- tum-pbs/PhiFlow
Python - Differentiable PDE simulations. Fluid dynamics with TF/PyTorch/JAX. ML-physics hybrid workflows.
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Surrogate Models & PINNs
Physics-informed neural networks and data-driven reduced-order models for fast PDE solving.
- camlab-ethz/poseidon
Python - Scalable foundation model for PDEs. Pre-trained on diverse physics domains; few-shot generalization via in-context operator learning.
- lululxvi/deepxde
Python - Physics-informed neural networks for PDEs. Multi-backend (TF, PyTorch, JAX). Inverse problems, fractional PDEs.
- mathLab/PINA
Python - Physics-Informed Neural networks for Advanced modeling. PyTorch Lightning-based with multi-device training.
- mathLab/PyDMD
Python - Dynamic Mode Decomposition. Data-driven reduced-order modeling for fluid dynamics and beyond.
- NeuroDiffGym/neurodiffeq
Python - Neural network solver for ODEs and PDEs. Flexible architecture with native boundary condition handling.
- NVIDIA/physicsnemo-sym
Python - Symbolic AI for physics. Physics-informed neural networks with symbolic equation definition.
- rezaakb/pinns-torch
Python PyTorch - Production-ready PINNs in PyTorch. Multi-physics support, inverse problems, uncertainty quantification.
- sciann/sciann
Python - Neural networks for scientific computing. Keras-based PINNs with custom loss and constraints.
- thuml/Neural-Solver-Library
Python - Library for advanced neural PDE solvers. Benchmarking Transolver, FNO, and variants on diverse PDE families.
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Optimization
Bayesian, topology, and multidisciplinary design optimization.
- meta-pytorch/botorch
Python PyTorch - Bayesian optimization in PyTorch. Sequential decision making, multi-objective optimization, batch acquisition.
- OpenMDAO/dymos
Python - Open-source optimal control of dynamic systems. Gradient-based trajectory optimization with Gauss-Lobatto and Radau collocation on OpenMDAO.
- OpenMDAO/OpenMDAO
Python - Multidisciplinary design optimization. NASA-developed. Gradient-based + surrogate-assisted optimization.
- anyoptimization/pymoo
Python - Multi-objective optimization. NSGA-II/III, reference directions, constraint handling, parallelization.
- dl4to/dl4to
Python PyTorch - Deep learning for 3D topology optimization. Autograd + adjoint method for efficient neural optimization.
- williamhunter/topy
Python - Topology optimization with Python. Minimum compliance, heat conduction, mechanism design.
- mdolab/OpenAeroStruct
Python - Aerostructural optimization. VLM aerodynamics + beam FEM structures + ply-level composites.
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Libraries for reading, writing, and converting simulation data across mesh and field formats.
- nschloe/meshio
Python - I/O for mesh formats. Abaqus, CGNS, Gmsh, VTK, XDMF, Exodus, and 30+ more.
- h5py/h5py
Python - Pythonic interface to HDF5. Read/write large numerical datasets efficiently.
- Unidata/netcdf4-python
Python - Python/NumPy interface to NetCDF. Climate, ocean, atmospheric simulation data.
- CGNS/CGNS
C Fortran - CFD General Notation System. Standard for CFD data storage and exchange. HDF5-based.
- pyvista/pyvista
Python - Read/write VTK formats (VTI, VTP, VTU, VTS, VTR), STL, OBJ, PLY, glTF, and more.
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Datasets & Benchmarks
Standardized datasets and benchmarks for training and evaluating scientific ML models.
- divelab/AIRS
Python - AI for science benchmarks. Molecular, protein, climate, physics datasets.
- Extrality/AirfRANS
Python - RANS simulation dataset for airfoils. 1000 simulations with Reynolds-averaged fields (NeurIPS 2022).
- Mohamedelrefaie/DrivAerNet
Python - Large-scale automotive CFD dataset. 4000+ car designs with drag coefficients and surface fields.
- i207M/PINNacle
Python - Comprehensive PINN benchmark with 20 PDE problems across difficulty levels (NeurIPS 2024).
- NASA TMR - Turbulence Modeling Resource. Validation cases for CFD turbulence models with experimental data.
- pdebench/PDEBench
Python - Benchmarks for scientific ML. Standardized PDE datasets with baseline models.
- PolymathicAI/the_well
Python - Large-scale collection of diverse physics simulations for ML. Fifteen-plus PDE systems (NeurIPS 2024).
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Learning Resources
Tutorials, courses, and curated reference lists for computational engineering and AI for science.
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Star History
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Contributing
Contributions welcome! Read the contributing guidelines first — adding a tool triggers an automatic AI-Readiness score on your PR. Common questions answered in the FAQ.

To the extent possible under law, kimimgo has waived all copyright and related or neighboring rights to this work.
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