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laserkelvin
Kelvin Lee
This release brings the code base to officially to v1.0.0, with a slew of new features and reabstractions including:
- Many more materials science datasets, including Materials Project, NOMAD, OQMD, and more.
- Reabstraction of tasks beyond the original Open Catalyst IS2RE, S2EF: we now offer more generalized definitions of tasks that support the new datasets, and facilitate more holistic research and benchmarking.
- A revised and more flexible transformation system: make modifications to your data without needing to reimplement datasets or change models.
We welcome feedback, questions, and contributions and hope that the work will spur interesting research directions!
Please note that this version is not backwards compatible with the original/previous release.