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SimonEnsemble authored Oct 6, 2021
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Expand Up @@ -45,3 +45,16 @@ open data sets for machine learning pertaining to porous materials.
# other data sets, pertaining to materials, for machine learning

see `matminer` [here](https://hackingmaterials.lbl.gov/matminer/dataset_summary.html). pointed out by [Jack Evans](https://twitter.com/jackevansADL/status/1439730395570851841).

# construct your own crystal structures!
here is a list of open-source codes for building your own crystal structure models.

| name of code | link to code | link to associated paper |
| -- | -- | -- |
| `tobacco` | [link](https://github.com/tobacco-mofs/tobacco_3.0) | [link](https://pubs.acs.org/doi/abs/10.1021/acs.cgd.7b00848) |
| `pormake` | [link](https://github.com/Sangwon91/PORMAKE) | [link](https://pubs.acs.org/doi/full/10.1021/acsami.1c02471) |
| `ToBasCCo` | [link](https://github.com/peteboyd/tobascco) | [link](https://www.nature.com/articles/s41586-019-1798-7?proof=tNature) |
| `Zeo++` | [link](http://www.zeoplusplus.org/) | [link](https://pubs.acs.org/doi/abs/10.1021/cg500158c) |
| `stk` | [link](https://aip.scitation.org/doi/10.1063/5.0049708) | [link](https://github.com/lukasturcani/stk) |
| `PoreMatMode.jl` (only modifies) | [link](https://github.com/SimonEnsemble/PoreMatMod.jl) | coming soon! |

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