Up to date MoleculeNet results?

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.


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


There is also OBG (Open Graph Benchmark).

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


OGB is a great resource, thanks.

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