|
| 1 | +# Acknowledgements |
| 2 | + |
| 3 | +AI4Science Studio curates recipes for open AI-for-science models. The models themselves, their weights, and the ideas behind them are the work of the original authors listed below. AMD Silo AI contributed ROCm/AMD-specific recipes and blog posts for many of these models. |
| 4 | + |
| 5 | +--- |
| 6 | + |
| 7 | +## Earth Science |
| 8 | + |
| 9 | +### StormCast |
| 10 | +- **Upstream:** NVIDIA Earth-2 Studio — [`NVIDIA/earth2studio`](https://github.com/NVIDIA/earth2studio) |
| 11 | +- **Paper:** Bodnar et al., *Kilometer-Scale Convection Allowing Model Emulation using Generative Diffusion Modeling*, arXiv:2408.10958 |
| 12 | +- **ROCm blog (inference):** [Running StormCast on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/stormcast-inference/README.html) — Pauli Pihajoki (AMD Silo AI) |
| 13 | +- **ROCm blog (ensembles):** [StormCast Ensemble Forecasting on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/stormcast-ensembles/README.html) — Pauli Pihajoki (AMD Silo AI) |
| 14 | + |
| 15 | +### ORBIT-2 |
| 16 | +- **Upstream:** [`XiaoWang-Github/ORBIT-2`](https://github.com/XiaoWang-Github/ORBIT-2); weights on [Hugging Face](https://huggingface.co/jychoi-hpc/ORBIT-2) |
| 17 | +- **Paper:** Wang et al., *ORBIT-2: Scaling Exascale Vision Foundation Models for Weather and Climate Downscaling*, arXiv:2505.04802 |
| 18 | +- **Dataset DOI:** [10.13139/OLCF/2589526](https://doi.org/10.13139/OLCF/2589526) |
| 19 | +- **Maintained by:** Oak Ridge National Laboratory (ORNL) |
| 20 | + |
| 21 | +### ArchesWeather |
| 22 | +- **Upstream:** [`gcouairon/ArchesWeather`](https://huggingface.co/gcouairon/ArchesWeather); recipe code from [`silogen/ai-samples`](https://github.com/silogen/ai-samples) |
| 23 | +- **Paper:** Couairon et al., *ArchesWeather & ArchesWeatherGen: efficient AI weather forecasting*, arXiv:2412.12971 |
| 24 | +- **ROCm blog:** [Training ArchesWeather on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/geoarches-training/README.html) — Luka Tsabadze, Rahul Biswas, Pauli Pihajoki, Daniel Warna, Baiqiang Xia, Sopiko Kurdadze (AMD Silo AI) |
| 25 | + |
| 26 | +### Aurora |
| 27 | +- **Upstream:** [`microsoft/aurora`](https://github.com/microsoft/aurora); recipe code from [`silogen/ai-samples`](https://github.com/silogen/ai-samples) |
| 28 | +- **Paper:** Bodnar et al., *A foundation model of the Earth system*, Nature 2025, https://doi.org/10.1038/s41586-025-08897-0 |
| 29 | +- **ROCm blog:** [Running SOTA AI-based Weather Forecasting models on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/ai-weather-forecasting/README.html) — Luka Tsabadze, Rahul Biswas, Pauli Pihajoki, Daniel Warna, Baiqiang Xia (AMD Silo AI) |
| 30 | + |
| 31 | +### GenCast |
| 32 | +- **Upstream:** [`google-deepmind/graphcast`](https://github.com/google-deepmind/graphcast); recipe code from [`silogen/ai-samples`](https://github.com/silogen/ai-samples) |
| 33 | +- **Paper:** Price et al., *GenCast: Diffusion-based ensemble weather forecasting for improved prediction accuracy and uncertainty quantification*, Nature 2025, https://doi.org/10.1038/s41586-024-08252-9 |
| 34 | +- **ROCm blog:** [Running SOTA AI-based Weather Forecasting models on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/ai-weather-forecasting/README.html) — Luka Tsabadze, Rahul Biswas, Pauli Pihajoki, Daniel Warna, Baiqiang Xia (AMD Silo AI) |
| 35 | + |
| 36 | +### NeuralGCM |
| 37 | +- **Upstream:** [`google-research/neuralgcm`](https://github.com/google-research/neuralgcm); weights via Google Cloud Storage |
| 38 | +- **Papers:** |
| 39 | + - Kochkov et al., *Neural General Circulation Models for Weather and Climate*, arXiv:2311.07222 |
| 40 | + - Kochkov et al., *Neural GCMs optimized to predict satellite-based precipitation*, arXiv:2412.11973 |
| 41 | + |
| 42 | +### PanguWeather |
| 43 | +- **Upstream:** [`198808xc/Pangu-Weather`](https://github.com/198808xc/Pangu-Weather); recipe code from [`silogen/ai-samples`](https://github.com/silogen/ai-samples) |
| 44 | +- **Paper:** Bi et al., *Accurate medium-range global weather forecasting with 3D neural networks*, Nature 2023, https://doi.org/10.1038/s41586-023-06185-3 |
| 45 | +- **ROCm blog:** [Running SOTA AI-based Weather Forecasting models on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/ai-weather-forecasting/README.html) — Luka Tsabadze, Rahul Biswas, Pauli Pihajoki, Daniel Warna, Baiqiang Xia (AMD Silo AI) |
| 46 | + |
| 47 | +--- |
| 48 | + |
| 49 | +## Material Science |
| 50 | + |
| 51 | +### MatterGen |
| 52 | +- **Upstream:** [`microsoft/mattergen`](https://github.com/microsoft/mattergen) |
| 53 | +- **Paper:** Zeni et al., *MatterGen: a generative model for inorganic materials design*, Nature 2025, https://doi.org/10.1038/s41586-025-08628-5 |
| 54 | +- **ROCm blog:** [Running MatterGen on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/mattergen/README.html) — Sopiko Kurdadze (AMD Silo AI) |
| 55 | + |
| 56 | +### HydraGNN |
| 57 | +- **Upstream:** [`ORNL/HydraGNN`](https://github.com/ORNL/HydraGNN) (branch `Predictive_GFM_2024`); weights on [Hugging Face](https://huggingface.co/mlupopa/HydraGNN_Predictive_GFM_2024) |
| 58 | +- **Dataset DOI:** [10.13139/OLCF/2474799](https://doi.org/10.13139/OLCF/2474799) |
| 59 | +- **Citation:** M. Lupo Pasini et al., *HydraGNN_Predictive_GFM_2024 — Ensemble of predictive graph foundation models for group state atomistic materials modeling*, DOI 10.13139/OLCF/2474799 |
| 60 | +- **Maintained by:** Oak Ridge National Laboratory (ORNL) |
| 61 | + |
| 62 | +--- |
| 63 | + |
| 64 | +## Healthcare & Life Sciences |
| 65 | + |
| 66 | +### GP-MoLFormer |
| 67 | +- **Upstream:** [`IBM/gp-molformer`](https://github.com/IBM/gp-molformer) |
| 68 | +- **Paper:** Ross et al., *Generative Pre-trained Transformer for De Novo Drug Design and Molecular Property Optimization*, arXiv:2302.07432 |
| 69 | +- **ROCm blog:** [Running GP-MoLFormer on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/gp-molformer/README.html) — Sopiko Kurdadze (AMD Silo AI) |
| 70 | + |
| 71 | +### SwinUNETR |
| 72 | +- **Upstream:** [`Project-MONAI/research-contributions`](https://github.com/Project-MONAI/research-contributions); recipe code from [`silogen/ai-samples`](https://github.com/silogen/ai-samples) |
| 73 | +- **Paper:** Hatamizadeh et al., *Swin UNETR: Swin Transformers for Semantic Segmentation of Brain Tumors in MRI Images*, arXiv:2201.01266 |
| 74 | +- **ROCm blog (training):** [Running SwinUNETR on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/running-swinunetr-amd/README.html) — Joaquin Rives Gambin (AMD Silo AI) |
| 75 | +- **ROCm blog (inference optimization):** [SwinUNETR Inference Optimization on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/swinunetr-inference-optimization/README.html) — Joaquin Rives Gambin, Vasumathi Neralla, David Björelind, Rui Sampaio (AMD Silo AI / AstraZeneca × AMD collaboration) |
| 76 | +- **AstraZeneca × AMD collaboration:** https://www.amd.com/en/blogs/2025/astrazeneca-improved-life-sciences-model-training-time.html |
| 77 | + |
| 78 | +### SemlaFlow |
| 79 | +- **Upstream:** [`rssrwn/semla-flow`](https://github.com/rssrwn/semla-flow) |
| 80 | +- **Paper:** Morehead et al., *SemlaFlow: Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching*, OpenReview: https://openreview.net/forum?id=bee2G6pEh0 |
| 81 | +- **ROCm blog:** [Running SemlaFlow on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/semlaflow/README.html) — Vasumathi Neralla, Rui Sampaio (AMD Silo AI / AstraZeneca × AMD collaboration) |
| 82 | +- **AstraZeneca × AMD collaboration:** https://www.amd.com/en/blogs/2025/astrazeneca-improved-life-sciences-model-training-time.html |
| 83 | + |
| 84 | +### REINVENT4 |
| 85 | +- **Upstream:** [`MolecularAI/REINVENT4`](https://github.com/MolecularAI/REINVENT4) |
| 86 | +- **Paper:** Loeffler et al., *REINVENT4: Modern AI-driven generative molecule design*, J Cheminformatics 2024, https://doi.org/10.1186/s13321-024-00812-5 |
| 87 | +- **ROCm blog:** [Running REINVENT4 on AMD Instinct](https://rocm.blogs.amd.com/artificial-intelligence/running-reinvent4-amd/README.html) — David Björelind, Rui Sampaio (AMD Silo AI / AstraZeneca × AMD collaboration) |
| 88 | +- **AstraZeneca × AMD collaboration:** https://www.amd.com/en/blogs/2025/astrazeneca-improved-life-sciences-model-training-time.html |
| 89 | + |
| 90 | +--- |
| 91 | + |
| 92 | +## Physics Simulation |
| 93 | + |
| 94 | +### MATEY |
| 95 | +- **Upstream:** [`ORNL/MATEY`](https://github.com/ORNL/MATEY) |
| 96 | +- **Paper:** Subramanian et al., *MATEY: multiscale adaptive foundation models for spatiotemporal physical systems*, arXiv:2412.20601 |
| 97 | +- **Maintained by:** Oak Ridge National Laboratory (ORNL) |
| 98 | + |
| 99 | +### Walrus |
| 100 | +- **Upstream:** [`PolymathicAI/walrus`](https://github.com/PolymathicAI/walrus); weights on [Hugging Face](https://huggingface.co/polymathic-ai/walrus) |
| 101 | +- **Paper:** McCabe et al., *Walrus: A Cross-Domain Foundation Model for Continuum Dynamics*, arXiv:2511.15684 |
| 102 | +- **Maintained by:** Polymathic AI |
| 103 | + |
| 104 | +--- |
| 105 | + |
| 106 | +## AMD Silo AI |
| 107 | + |
| 108 | +ROCm-specific recipes for many models in this repository were authored by the [AMD Silo AI](https://www.amd.com/en/solutions/ai/silo-ai.html) team and published on the [ROCm Blogs](https://rocm.blogs.amd.com) platform. Contributors across these recipes include: Pauli Pihajoki, Luka Tsabadze, Rahul Biswas, Sopiko Kurdadze, Daniel Warna, Baiqiang Xia, Joaquin Rives Gambin, Vasumathi Neralla, David Björelind, and Rui Sampaio. |
| 109 | + |
| 110 | +## AstraZeneca × AMD Collaboration |
| 111 | + |
| 112 | +The recipes for REINVENT4, SemlaFlow, and the SwinUNETR inference optimization were developed as part of a collaboration between AstraZeneca and AMD. See the [collaboration blog post](https://www.amd.com/en/blogs/2025/astrazeneca-improved-life-sciences-model-training-time.html) for background. The SwinUNETR training recipe and GP-MoLFormer are AMD Silo AI contributions independent of this collaboration. |
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