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Title: GitHub - facebookresearch/all-atom-diffusion-transformer: Official implementation of All Atom Diffusion Transformers (ICML 2025) · GitHub

Open Graph Title: GitHub - facebookresearch/all-atom-diffusion-transformer: Official implementation of All Atom Diffusion Transformers (ICML 2025)

X Title: GitHub - facebookresearch/all-atom-diffusion-transformer: Official implementation of All Atom Diffusion Transformers (ICML 2025)

Description: Official implementation of All Atom Diffusion Transformers (ICML 2025) - facebookresearch/all-atom-diffusion-transformer

Open Graph Description: Official implementation of All Atom Diffusion Transformers (ICML 2025) - facebookresearch/all-atom-diffusion-transformer

X Description: Official implementation of All Atom Diffusion Transformers (ICML 2025) - facebookresearch/all-atom-diffusion-transformer

Opengraph URL: https://github.com/facebookresearch/all-atom-diffusion-transformer

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pyproject.tomlhttps://github.com/facebookresearch/all-atom-diffusion-transformer/blob/main/pyproject.toml
pyproject.tomlhttps://github.com/facebookresearch/all-atom-diffusion-transformer/blob/main/pyproject.toml
requirements.txthttps://github.com/facebookresearch/all-atom-diffusion-transformer/blob/main/requirements.txt
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https://github.com/facebookresearch/all-atom-diffusion-transformer#all-atom-diffusion-transformers
https://www.arxiv.org/abs/2503.03965
https://github.com/facebookresearch/all-atom-diffusion-transformer/
https://huggingface.co/chaitjo/all-atom-diffusion-transformer
https://x.com/chaitjo/status/1899114667219304525
https://www.youtube.com/watch?v=NiY4NLzemnU
https://www.chaitjo.com/publication/joshi-2025-allatom/All_Atom_Diffusion_Transformers_Slides.pdf
https://colab.research.google.com/drive/1wHXsP0SHZ-Lx6Brgg-osuvTFrWw3M7oW?usp=sharing
"All-atom Diffusion Transformers: Unified generative modelling of molecules and materials"https://www.arxiv.org/abs/2503.03965
Chaitanya K. Joshihttps://www.chaitjo.com/
Xiang Fuhttps://xiangfu.co/
Yi-Lun Liaohttps://www.linkedin.com/in/yilunliao
Vahe Gharakhanyanhttps://gvahe.github.io/
Benjamin Kurt Millerhttps://www.mathben.com/
Anuroop Sriram*https://anuroopsriram.com/
Zachary W. Ulissi*https://zulissi.github.io/
https://github.com/facebookresearch/all-atom-diffusion-transformer/blob/main/ADiT.png
https://github.com/facebookresearch/all-atom-diffusion-transformer#installation
https://github.com/facebookresearch/all-atom-diffusion-transformer#usage
lightning-hydra templatehttps://github.com/ashleve/lightning-hydra-template/
QM9 on PyGhttps://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.datasets.QM9.html
on HuggingFacehttps://huggingface.co/datasets/chaitjo/QM9_ADiT
GEOM-DRUGS on HuggingFacehttps://huggingface.co/datasets/chaitjo/GEOM-DRUGS_ADiT
MP20 on HuggingFacehttps://huggingface.co/datasets/chaitjo/MP20_ADiT
QMOF150 on HuggingFacehttps://huggingface.co/datasets/chaitjo/QMOF150_ADiT
on HuggingFacehttps://huggingface.co/chaitjo/all-atom-diffusion-transformer
https://colab.research.google.com/drive/1wHXsP0SHZ-Lx6Brgg-osuvTFrWw3M7oW?usp=sharing
Crystals as CIF fileshttps://huggingface.co/chaitjo/all-atom-diffusion-transformer/resolve/main/ADiT_crystals_mp20.zip
Molecules as PDB fileshttps://huggingface.co/chaitjo/all-atom-diffusion-transformer/resolve/main/ADiT_molecules_qm9.zip
Molecules as PDB fileshttps://huggingface.co/chaitjo/all-atom-diffusion-transformer/resolve/main/ADiT_molecules_geom.zip
https://github.com/facebookresearch/all-atom-diffusion-transformer#project-structure
https://github.com/facebookresearch/all-atom-diffusion-transformer#citation
Spotlight talkhttps://www.youtube.com/watch?v=NiY4NLzemnU
All-atom Diffusion Transformers: Unified generative modelling of molecules and materialshttps://www.arxiv.org/abs/2503.03965
https://github.com/facebookresearch/all-atom-diffusion-transformer#licence
ase-notebookhttps://github.com/chrisjsewell/ase-notebook/
equiformer-v2https://github.com/atomicarchitects/equiformer_v2/
www.arxiv.org/abs/2503.03965https://www.arxiv.org/abs/2503.03965
materials https://github.com/topics/materials
transformer https://github.com/topics/transformer
generation https://github.com/topics/generation
molecules https://github.com/topics/molecules
diffusion https://github.com/topics/diffusion
latent-diffusion https://github.com/topics/latent-diffusion
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