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Surrogate Modeling Toolbox
Created
2016-11-08
1,550 commits to master branch, last one 7 days ago
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
ai4science
awesome-list
best-of-list
drug-discovery
condensed-matter
surrogate-models
quantum-chemistry
molecular-dynamics
materials-discovery
electronic-structure
scientific-computing
materials-informatics
interatomic-potentials
computational-chemistry
density-functional-theory
atomistic-machine-learning
scientific-machine-learning
computational-materials-science
Created
2023-06-09
399 commits to main branch, last one 2 days ago
Surrogate modeling and optimization for scientific machine learning (SciML)
Created
2019-05-08
1,214 commits to master branch, last one 3 days ago
Surrogate Optimization Toolbox for Python
Created
2015-06-03
321 commits to master branch, last one 3 years ago
A Large-Scale Multimodal Car Dataset with Computational Fluid Dynamics Simulations and Deep Learning Benchmarks
Created
2024-03-04
168 commits to main branch, last one a day ago
Applications of PINOs
Created
2021-12-08
103 commits to main branch, last one 2 years ago
Encoding physics to learn reaction-diffusion processes
Created
2022-10-04
24 commits to main branch, last one about a year ago
Sandia Uncertainty Quantification Toolkit
Created
2019-06-26
827 commits to master branch, last one 7 months ago
3D CNN to predict single-phase flow velocity fields
Created
2020-03-05
24 commits to master branch, last one about a year ago
Efficient global optimization toolbox in Rust: bayesian optimization, mixture of gaussian processes, sampling methods
Created
2020-08-27
517 commits to master branch, last one 8 days ago
A framework based on the tensor train decomposition for working with multivariate functions and multidimensional arrays
Created
2020-11-25
739 commits to master branch, last one 5 months ago
core C++ library
Created
2019-08-30
3,859 commits to develop branch, last one 5 days ago