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aronwalsh committed Oct 22, 2024
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22 changes: 14 additions & 8 deletions codes.markdown
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Expand Up @@ -48,12 +48,20 @@ A selection of tools we use, some we like, and others we develop. Also see our [
* [CGCNN](https://github.com/txie-93/cgcnn) and [MEGNet](https://github.com/materialsvirtuallab/megnet)
* [DScribe](https://singroup.github.io/dscribe) and [MOFDScribe](https://github.com/kjappelbaum/mofdscribe)
* [Magpie](https://bitbucket.org/wolverton/magpie) built on [Weka](https://www.cs.waikato.ac.nz/ml/weka/) and [scikit-learn](http://scikit-learn.org)
* [Matbench](https://matbench.materialsproject.org) and [Matbench-discovery](https://matbench-discovery.materialsproject.org)
* [Matbench](https://matbench.materialsproject.org)
* [MatMiner](http://hackingmaterials.github.io/matminer) built on [scikit-learn](http://scikit-learn.org)
* [SISSO](https://github.com/rouyang2017/SISSO)
* [Sketch-Map](https://sketchmap.org)

#### Machine Learning Force Fields
#### Compositional Descriptors and Models

* [Aviary](https://github.com/CompRhys/aviary) from [RooSt](https://github.com/CompRhys/roost)
* [Crabnet](https://github.com/anthony-wang/CrabNet)
* [ElementEmbeddings](https://github.com/WMD-group/ElementEmbeddings)
* [Element Movers Distance](https://github.com/lrcfmd/ElMD)
* [SkipAtom](https://github.com/lantunes/skipatom) and [SkipSpecies](https://github.com/WMD-group/skipspecies)

#### Machine Learning Force Fields (MLFF)

* [ACE](https://github.com/ACEsuit/ACE1.jl) and [MACE](https://github.com/ACEsuit/mace)
* [ANI](https://github.com/isayev/ANI1_dataset)
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* [MatGL](https://github.com/materialsvirtuallab/matgl) and [CHGNet](https://github.com/CederGroupHub/chgnet)
* [PyXtal_FF](https://github.com/qzhu2017/pyxtal_ff)
* [SchNetPack](https://github.com/atomistic-machine-learning/schnetpack)
* [SevenNet](https://github.com/MDIL-SNU/SevenNet)

#### Compositional Descriptors and Models
#### MLFF Benchmarks

* [Aviary](https://github.com/CompRhys/aviary) from [RooSt](https://github.com/CompRhys/roost)
* [Crabnet](https://github.com/anthony-wang/CrabNet)
* [ElementEmbeddings](https://github.com/WMD-group/ElementEmbeddings)
* [Element Movers Distance](https://github.com/lrcfmd/ElMD)
* [SkipAtom](https://github.com/lantunes/skipatom)
* [Matbench-discovery](https://matbench-discovery.materialsproject.org)
* [MLIP-Arena](https://huggingface.co/spaces/atomind/mlip-arena)

# Crystal Structure Prediction

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# PhD Researchers
- [Panyalak Detrattanawichai (ปัญลักษณ์ เดชรัตนวิไชย)](https://www.imperial.ac.uk/materials)
- [Fintan Hardy](https://scholar.google.com/citations?user=eoYZqtkAAAAJ&hl=en&oi=ao)
- [Chloe (Jiwoo) Lee (이지우)](https://scholar.google.com/citations?user=ypmUUpEAAAAJ&hl=ko)
- [Xia Liang (梁夏)](https://scholar.google.com/citations?user=H_WhefEAAAAJ&hl=en&oi=ao)
- [Zhengyu Liu (刘政宇)](https://www.imperial.ac.uk/materials)
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- [Johan Klarbring](https://scholar.google.se/citations?user=TP9OGRYAAAAJ&hl=sv)
- [Yea-Lee Lee (이예리)](https://scholar.google.com/citations?user=rDLIKk0AAAAJ&hl=ko)

# Undergraduate Researchers
- [Xinying Huang](https://www.imperial.ac.uk/materials)
- [Ryan Nduma](https://www.imperial.ac.uk/materials)
- [Xinyin (Bill) Yi](https://www.imperial.ac.uk/materials)

# Alumni: MPhil & PhD Graduates
- [Lee A. Burton](https://scholar.google.co.uk/citations?user=fEp-jzkAAAAJ&hl=en)
- [Christopher H. Hendon](https://scholar.google.co.uk/citations?user=k1erO3EAAAAJ&hl=en)
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