chaitjo commited on
Commit
d92fafc
·
verified ·
1 Parent(s): 8ec3ee3

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +14 -7
README.md CHANGED
@@ -49,12 +49,17 @@ library_name: transformers
49
  # All-atom Diffusion Transformers
50
 
51
  [![arXiv](https://img.shields.io/badge/PDF-arXiv-blue)](https://www.arxiv.org/abs/2503.03965)
52
- [![Code](https://img.shields.io/badge/Code-GitHub-blue)](https://github.com/facebookresearch/all-atom-diffusion-transformer/)
53
- [![Weights](https://img.shields.io/badge/Weights-HuggingFace-blue)](https://huggingface.co/chaitjo/all-atom-diffusion-transformer)
54
  [![X](https://img.shields.io/badge/X_thread-@chaitjo-blue)](https://x.com/chaitjo/status/1899114667219304525)
55
- [![Slides](https://img.shields.io/badge/Slides-chaitjo.com-blue)](https://www.chaitjo.com/publication/joshi-2025-allatom/All_Atom_Diffusion_Transformers_Slides.pdf)
 
 
 
 
56
 
57
- Independent reproduction of the paper [*"All-atom Diffusion Transformers: Unified generative modelling of molecules and materials"*](https://www.arxiv.org/abs/2503.03965), by [Chaitanya K. Joshi](https://www.chaitjo.com/), [Xiang Fu](https://xiangfu.co/), [Yi-Lun Liao](https://www.linkedin.com/in/yilunliao), [Vahe Gharakhanyan](https://gvahe.github.io/), [Benjamin Kurt Miller](https://www.mathben.com/), [Anuroop Sriram*](https://anuroopsriram.com/), and [Zachary W. Ulissi*](https://zulissi.github.io/) from FAIR Chemistry at Meta (* Joint last author).
 
58
 
59
  All-atom Diffusion Transformers (ADiTs) jointly generate both periodic materials and non-periodic molecular systems using a unified latent diffusion framework:
60
  - An autoencoder maps a unified, all-atom representations of molecules and materials to a shared latent embedding space; and
@@ -77,13 +82,15 @@ Examples of 10,000 sampled crystals and molecules are also available:
77
 
78
  ## Citation
79
 
 
 
80
  ArXiv link: [*All-atom Diffusion Transformers: Unified generative modelling of molecules and materials*](https://www.arxiv.org/abs/2503.03965)
81
 
82
  ```
83
- @article{joshi2025allatom,
84
  title={All-atom Diffusion Transformers: Unified generative modelling of molecules and materials},
85
  author={Chaitanya K. Joshi and Xiang Fu and Yi-Lun Liao and Vahe Gharakhanyan and Benjamin Kurt Miller and Anuroop Sriram and Zachary W. Ulissi},
86
- journal={arXiv preprint},
87
  year={2025},
88
  }
89
- ```
 
49
  # All-atom Diffusion Transformers
50
 
51
  [![arXiv](https://img.shields.io/badge/PDF-arXiv-blue)](https://www.arxiv.org/abs/2503.03965)
52
+ [![Code](https://img.shields.io/badge/Code-GitHub-red)](https://github.com/facebookresearch/all-atom-diffusion-transformer/)
53
+ [![Weights](https://img.shields.io/badge/Weights-HuggingFace-yellow)](https://huggingface.co/chaitjo/all-atom-diffusion-transformer)
54
  [![X](https://img.shields.io/badge/X_thread-@chaitjo-blue)](https://x.com/chaitjo/status/1899114667219304525)
55
+ [![YouTube](https://img.shields.io/badge/Talk-YouTube-red)](https://www.youtube.com/watch?v=NiY4NLzemnU)
56
+ [![Slides](https://img.shields.io/badge/Slides-chaitjo.com-green)](https://www.chaitjo.com/publication/joshi-2025-allatom/All_Atom_Diffusion_Transformers_Slides.pdf)
57
+ <a target="_blank" href="https://colab.research.google.com/drive/1wHXsP0SHZ-Lx6Brgg-osuvTFrWw3M7oW?usp=sharing">
58
+ <img src="https://colab.research.google.com/assets/colab-badge.svg" alt="Open In Colab"/>
59
+ </a>
60
 
61
+
62
+ Independent reproduction of the paper [*"All-atom Diffusion Transformers: Unified generative modelling of molecules and materials"*](https://www.arxiv.org/abs/2503.03965), by [Chaitanya K. Joshi](https://www.chaitjo.com/), [Xiang Fu](https://xiangfu.co/), [Yi-Lun Liao](https://www.linkedin.com/in/yilunliao), [Vahe Gharakhanyan](https://gvahe.github.io/), [Benjamin Kurt Miller](https://www.mathben.com/), [Anuroop Sriram*](https://anuroopsriram.com/), and [Zachary W. Ulissi*](https://zulissi.github.io/) from FAIR Chemistry at Meta, published at ICML 2025 (* Joint last author).
63
 
64
  All-atom Diffusion Transformers (ADiTs) jointly generate both periodic materials and non-periodic molecular systems using a unified latent diffusion framework:
65
  - An autoencoder maps a unified, all-atom representations of molecules and materials to a shared latent embedding space; and
 
82
 
83
  ## Citation
84
 
85
+ Accepted as a conference paper at ICML 2025.
86
+ Also presented as a [Spotlight talk](https://www.youtube.com/watch?v=NiY4NLzemnU) at ICLR 2025 AI for Accelerated Materials Design Workshop.
87
  ArXiv link: [*All-atom Diffusion Transformers: Unified generative modelling of molecules and materials*](https://www.arxiv.org/abs/2503.03965)
88
 
89
  ```
90
+ @inproceedings{joshi2025allatom,
91
  title={All-atom Diffusion Transformers: Unified generative modelling of molecules and materials},
92
  author={Chaitanya K. Joshi and Xiang Fu and Yi-Lun Liao and Vahe Gharakhanyan and Benjamin Kurt Miller and Anuroop Sriram and Zachary W. Ulissi},
93
+ booktitle={International Conference on Machine Learning},
94
  year={2025},
95
  }
96
+ ```