deepmodeling / deepmodeling/Uni-Mol
[Question] Clarification on units for QM9 property prediction benchmarks in Uni-Mol2
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Hello,
Thank you for the impressive work on **Uni-Mol2** (*Exploring Molecular Pretraining Model at Scale*).
I am currently studying the benchmark results on the **QM9 dataset** and would like to double-check the exact **units** used for the reported MAE (Mean Absolute Error) values to ensure a fair comparison.
Could you please confirm the target units for the following properties?
1. **Energy-related tasks** (e.g., HOMO, LUMO, Gap, ZPVE, U0, U, H, G):
* Are the reported MAE values in **Hartree (Ha)**, **eV**, or **meV**?
2. **Dipole moment ($\mu$)**: Is this in **Debye**?
3. **Isotropic Polarizability ($\alpha$)**: Is this in **Bohr³**?
4. **Electronic spatial extent ($R^2$)**: Is this in **Bohr²**?
Since different papers/benchmarks sometimes use different units (e.g., meV vs. Hartree), a confirmation would be very helpful.
Thanks!
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