The Atomic Architects

Popular repositories Loading

1. equiformer_v2 equiformer_v2 Public

   [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

   Python 352 49

2. equiformer equiformer Public

   [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

   Python 289 55

3. equiformer_v3 equiformer_v3 Public

   EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers

   Python 120 21

4. nequix nequix Public

   [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget

   Python 76 16

5. datasets datasets Public

   An easy (and fast) API for popular 3D molecular datasets!

   Python 50 6

6. DeNS DeNS Public

   [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

   Python 43 5