Code on property prediction experiments

DeepGraphLearning / ConfGF

Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

MIT License

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Code on property prediction experiments #2

Open teslacool opened 2 years ago

teslacool commented 2 years ago

I failed to use Psi4 to reproduce the Property Prediction experiments and the results are very different in the order of magnitude. Can you release the code for property prediction experiments and the randomly selected 30 molecule smiles?

shichence commented 2 years ago

Yeah, we have the uncleaned code for the Property Prediction part. We will release that soon.