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b-shields authored Jan 16, 2021
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Experimental Design via Bayesian Optimization: *edbo* is a practical implementation of Bayesian optimization for chemical synthesis.

**Reference:** Shields, Benjamin J.; Stevens, Jason; Li, Jun; Parasram, Marvin; Damani, Farhan, Janey, Jacob; Adams, Ryan P.; Doyle, Abigail G. "Bayesian Reaction Optimization as A Tool for Chemical Synthesis" Manuscript Submitted.
**Reference:** Shields, Benjamin J.; Stevens, Jason; Li, Jun; Parasram, Marvin; Damani, Farhan, Janey, Jacob; Adams, Ryan P.; Doyle, Abigail G. "Bayesian Reaction Optimization as A Tool for Chemical Synthesis" Manuscript Accepted.

**Documentation:** https://b-shields.github.io/edbo/index.html

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```
conda install jupyterlab
```

### GPU Integration

```
conda install cudatookit=10.1, torchvision -c pytorch
```

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