Hugging Face's logo

Datasets:
aixsim
/
Titan25

Size:
1M<n<10M
ArXiv:
Tags:
MLIP
MLFF
License:
Dataset card Files
xet
Community
aixsim commited on
Commit
29a1fde
·
verified ·
1 Parent(s): 0725b30

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +1 -1
README.md CHANGED
@@ -11,7 +11,7 @@ size_categories:
11
  Titan25 is an MLIP dataset constructed with GAIA.
12
  It comprises 1.8M data points across 11 elements (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru),
13
  which supports the development of MLIPs that robustly capture general chemical reactions, including interfacial processes.
14
- To accelerate MLIP training, we recommend converting .extxyz files to .lmdb or similar formats.
15
 
16
  [GAIA paper](https://arxiv.org/abs/2509.25798) includes
17
  - full details on the construction of the dataset
 
11
  Titan25 is an MLIP dataset constructed with GAIA.
12
  It comprises 1.8M data points across 11 elements (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru),
13
  which supports the development of MLIPs that robustly capture general chemical reactions, including interfacial processes.
14
+ To accelerate MLIP training, we recommend converting `.extxyz` files to `.lmdb` or similar formats.
15
 
16
  [GAIA paper](https://arxiv.org/abs/2509.25798) includes
17
  - full details on the construction of the dataset