# MOSES Molecule Generation Dataset

## Dataset Description
Molecular Sets (MOSES) is a benchmark platform for distribution learning based molecule generation. Within this benchmark, MOSES provides a cleaned dataset of molecules that are ideal of optimization. It is processed from the ZINC Clean Leads dataset.

## Task Description
For both distribution learning-based and goal-oriented molecule generation. That is to generate new molecules that has desirable properties measured by some oracles.

## Dataset Statistics
1,936,962 molecules, including:
- 1,355,874 in train
- 193,696 in validation
- 387,392 in test

The random split has been made by [Therapeutics Data Commons](https://tdcommons.ai/generation_tasks/molgen/).

## Reference
[[1] Polykovskiy et al. “Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models.”, Frontiers in Pharmacology. (2020).](https://arxiv.org/abs/1811.12823)