Adding the remaining PMO tasks

MachineLearningLifeScience / poli

A library of discrete objectives

MIT License

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Closed miguelgondu closed 5 months ago

miguelgondu commented 5 months ago

This PR adds the remaining chemistry-related black boxes, which are based on the PMO benchmark.

Thankfully, most of these are already available as TDC oracles.

(Closes #166 )

miguelgondu commented 5 months ago

Running thorough-er tests, I've realized there's a small bug in PyTDC. I'll keep implementing the other PMO black boxes.