Best Practices

Motivation

The field of AI is growing at an incredibly rapid pace, and it's important to always ensure we are making our work Findable, Accessible, Interoperable, and Reproducible (FAIR).

References

Here are some resources to ensure that's the case:
  •  Machine Learning for Materials Scientists: An Introductory Guide Towards Best Practices 
  •  Best Practices in Machine Learning for Chemistry 
  •  Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices