modelforge curated dataset: tmQM

Curated tmQM Dataset: 1000 conformer test set, version "nc_1000_v1": This provides a curated hdf5 file for the tmQM dataset (release 13Aug2024) designed to be compatible with modelforge, an infrastructure to implement and train NNPs. This datafile includes a subset of the full dataset, providing 1000 unique molecules (of the 108541 in the full dataset). Note, only a single configuration per unique molecule is provided. This small subset is primarily intended for testing purpose. Changes: fixed minor labeling bug and scaling issue in the scaled version of the computed dipole moment. When applicable, the units of properties are provided in the datafile, encoded as strings compatible with the openff-units package. For more information about the structure of the data file, please see the following: https://github.com/choderalab/modelforge/wiki/Dataset-and-curation#curation-module This curated dataset was generated using the modelforge software at commit <add commit>: Link to the source code at this commit: <add commit> Link to the script file used to generate the dataset: <add commit>