Up to date MoleculeNet results?

#1

Hi guys, thanks for the great resources (library, tutorials, datasets). They’re very helpful for someone new to the field.

I see that the latest benchmarks on MoleculeNet are from late 2017, I was wondering if a more up to date leaderboard was available a la SQuAD 2.0? Just curious to see how my models stack up with the latest without having to run everything and being unsure if I’m running the other implementations correctly, etc.

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#2

This is definitely on my TODO list, but for now we don’t have a functioning leaderboard for MoleculeNet. I’m planning to set up a MoleculeNet test server to start running the benchmark on a regular basis but this might take me some time to get going. I’ll pose a workplan in the https://github.com/deepchem/moleculenet repo tracking what needs to be done

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#3

There is also OBG (Open Graph Benchmark).

They have a leaderboard. They are all focused on graphs and not all are chemically related.

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#4

OGB is a great resource, thanks.

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