Update README.md

Update to scheme for filtering out trajectories

README.md

@@ -258,6 +258,8 @@ While we’ve shared this early version to support initial exploration and feedb
 Please proceed with caution and double-check any critical results drawn from this data.
 A formal release will follow once validation is complete.
 
+Note: For PBE we are in the process of providing a precomputed energy_corrected scheme based on [Materials Project 2020 Compatibility Scheme](https://www.nature.com/articles/s41598-021-94550-5)
+
 ## Dataset Description
 
 - **Homepage:** https://www.lematerial.org/
@@ -344,6 +346,13 @@ To ensure compatibility of rows from a DFT perspective, we implemented the follo
 
 The “all” split does not contain any filtering based on this approach, so all records can be downloaded.
 
+## Criteria for trajectory subsampling
+We mostly borrowed from research from the Materials Project including research on r2SCAN data curation from [Xu Huang, Bowen Deng, Peichen Zhong, Aaron D. Kaplan, Kristin A. Persson, Gerbrand Ceder](https://www.arxiv.org/abs/2504.05565) and from the ChgNet data curation from [Bowen Deng, Peichen Zhong, KyuJung Jun, Janosh Riebesell, Kevin Han, Christopher J. Bartel & Gerbrand Ceder ](https://www.nature.com/articles/s42256-023-00716-3#Sec11). However we made a key change. The selection criteria includes:
+- Within the trajectories frames were discarded if they deviated more than 1eV/atom from the final frame, to ensure that no frames are included which may not be fully converged.
+- Where possible to identify, if the electronic SCF test did not converge, we did not include the frame.
+- We kept structures with missing energy, and forces, for people wanting to do something similar to OCP's initial structure to relaxed structure (IS2RE) task.
+- We did not downsample based on trajectory length or similar structure to try to enhance diversity, rather opting for full trajectory dataset that others can use.
+- Because we added data from other databases, we provide compatibility compliance subset as described above.
 
 ## Stay tuned for future updates
 In the longer run we plan to release additional datasets including surface, adsorbates, and molecules.