COMP6 (COmprehensive Machine-learning Potential)

Introduced by Justin S. Smith et al. in Less is more: sampling chemical space with active learning archive 2025-07-28

COMP6 is a benchmark for evaluating the extensibility of machine-learning based molecular potentials. It contains a diverse set of organic molecules.

Source: https://github.com/isayev/COMP6

Homepage JSON

Benchmarks archive 2025-07-28

No leaderboard in the archive resolves to this dataset.

Papers archive 2025-07-28

No paper in the archive has a leaderboard row on this dataset; the archive counts 4 papers for it but never published that list.

Dataset loaders archive 2025-07-28

isayev/COMP6

1 loader as listed in the archive; links are outbound and not re-checked here.

Tasks archive 2025-07-28

Active Learning

License archive 2025-07-28

No licence recorded in the archive. Absence here is not a statement about the dataset's terms.

Modalities archive 2025-07-28

No modality tagged.

Languages archive 2025-07-28

No language tagged.

Variants archive 2025-07-28

COMP6

1 variant name, as the archive lists them.

Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections