[BUG] missing OH- dataset

[qumaciel]

Expected behavior

The OH- molecule is listed in qml.data.list_datasets() with the following dataset:

'OH-': {'STO-3G': ['0.5', '0.54', '0.58', '0.62', '0.66', '0.7', '0.74', '0.78', '0.82', '0.86', '0.9', '0.94', '0.964', '0.98', '1.02', '1.06', '1.1', '1.14', '1.18', '1.22', '1.26', '1.3', '1.34', '1.38', '1.42', '1.46', '1.5', '1.54', '1.58', '1.62', '1.66', '1.7', '1.74', '1.78', '1.82', '1.86', '1.9', '1.94', '1.98', '2.02', '2.06', '2.1']}

The expected behavior of qml.data.load("qchem", molname='OH-', basis="STO-3G", bondlength=0.54), for example, is to download the data for this particular bond length.

Actual behavior

when running qml.data.load("qchem", molname='OH-', basis="STO-3G", bondlength=0.54) , for example, I get :

load
    raise ValueError(
ValueError: No datasets exist for the provided configuration.
Please check the available datasets by using the ``qml.data.list_datasets()`` function.

Additional information

The same happens for different bond bond lengths of the OH- molecule, but it is working for the other molecules.

Source code

Tracebacks

System information

Name: PennyLane
Version: 0.40.0
Summary: PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
Home-page: https://github.com/PennyLaneAI/pennylane
Author: 
Author-email: 
License: Apache License 2.0
Location: /home/thiagomaciel/code/quantum-chemistry-hamming-weight/.venv/lib/python3.12/site-packages
Requires: appdirs, autograd, autoray, cachetools, diastatic-malt, networkx, numpy, packaging, pennylane-lightning, requests, rustworkx, scipy, tomlkit, typing-extensions
Required-by: PennyLane_Lightning

Platform info:           Linux-6.13.6-2-cachyos-x86_64-with-glibc2.41
Python version:          3.12.9
Numpy version:           1.26.4
Scipy version:           1.15.2
Installed devices:
- lightning.qubit (PennyLane_Lightning-0.40.0)
- default.clifford (PennyLane-0.40.0)
- default.gaussian (PennyLane-0.40.0)
- default.mixed (PennyLane-0.40.0)
- default.qubit (PennyLane-0.40.0)
- default.qutrit (PennyLane-0.40.0)
- default.qutrit.mixed (PennyLane-0.40.0)
- default.tensor (PennyLane-0.40.0)
- null.qubit (PennyLane-0.40.0)
- reference.qubit (PennyLane-0.40.0)

Existing GitHub issues

• I have searched existing GitHub issues to make sure the issue does not already exist.

[daniela-angulo]

Hi!
Thanks for providing such detailed report.
I was unable to reproduce your error and actually got the dataset to work correctly for the same conditions you used and several other bond lengths. I also verified my PennyLane version against yours.
However, in the last few days, the team was working on the datasets and it might have happened that you tried to consult this one at the same time when something was broken.
Do you mind trying again now that everything is stable? Let us know what you get.
Thanks!

[qumaciel]

It is working now! Thanks!