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Best of Atomistic Machine Learning - curated list with 510+ atomistic projects
Best of Atomistic Machine Learning - curated list with 510+ atomistic projects
## Contents
- [Active learning](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#active-learning) _9 projects_
- [Community resources](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#community-resources) _38 projects_
- [Datasets](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#datasets) _55 projects_
- [Data Structures](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#data-structures) _4 projects_
- [Density functional theory (ML-DFT)](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#density-functional-theory-ml-dft) _39 projects_
- [Educational Resources](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#educational-resources) _32 projects_
- [Explainable Artificial intelligence (XAI)](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#explainable-artificial-intelligence-xai) _4 projects_
- [Electronic structure methods (ML-ESM)](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#electronic-structure-methods-ml-esm) _6 projects_
- [General Tools](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#general-tools) _24 projects_
- [Generative Models](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#generative-models) _17 projects_
- [Interatomic Potentials (ML-IAP)](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#interatomic-potentials-ml-iap) _78 projects_
- [Language Models](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#language-models) _25 projects_
- [Materials Discovery](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#materials-discovery) _13 projects_
- [Mathematical tools](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#mathematical-tools) _14 projects_
- [Molecular Dynamics](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#molecular-dynamics) _15 projects_
- [Probabilistic ML](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#probabilistic-ml) _1 projects_
- [Reinforcement Learning](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#reinforcement-learning) _2 projects_
- [Representation Engineering](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#representation-engineering) _31 projects_
- [Representation Learning](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#representation-learning) _63 projects_
- [Universal Potentials](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#universal-potentials) _19 projects_
- [Unsupervised Learning](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#unsupervised-learning) _10 projects_
- [Visualization](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#visualization) _6 projects_
- [Wavefunction methods (ML-WFT)](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#wavefunction-methods-ml-wft) _7 projects_
- [Others](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/README.md#others) _1 projects_