> For the complete documentation index, see [llms.txt](https://docs.clore.ai/llms.txt). Markdown versions of documentation pages are available by appending `.md` to page URLs; this page is available as [Markdown](https://docs.clore.ai/guides/science-and-research/science.md).

# Overview

High-performance computing and scientific simulation tools for research and computational biology.

Scientific computing leverages GPU acceleration to solve complex computational problems in chemistry, biology, physics, and related fields. These applications often require massive parallel processing power that GPUs provide more efficiently than traditional CPU-based approaches.

Deploy computational biology tools and molecular dynamics simulations on CLORE.AI GPUs to accelerate research workflows, protein folding predictions, and scientific discoveries across the Clore.ai marketplace.

## Available Guides

| Guide                                                    | Use Case                       | Difficulty |
| -------------------------------------------------------- | ------------------------------ | ---------- |
| [AlphaFold2](/guides/science-and-research/alphafold2.md) | Protein structure prediction   | Advanced   |
| [ESMFold](/guides/science-and-research/esmfold.md)       | Fast protein folding           | Medium     |
| [GROMACS](/guides/science-and-research/gromacs.md)       | Molecular dynamics simulations | Advanced   |

## Application Areas

| Field              | GPU Benefit                | Typical Speedup |
| ------------------ | -------------------------- | --------------- |
| Molecular Dynamics | Massive parallelization    | 10-100x         |
| Protein Folding    | Deep learning acceleration | 50-1000x        |
| Quantum Chemistry  | Matrix operations          | 5-50x           |
| Climate Modeling   | Parallel computation       | 10-100x         |

## GPU Requirements

| Application | Minimum GPU | Recommended |
| ----------- | ----------- | ----------- |
| ESMFold     | RTX 3070    | RTX 4090    |
| AlphaFold2  | RTX 3090    | A100 40GB   |
| GROMACS     | GTX 1080    | RTX 3080+   |

## Related Guides

* [Training & Fine-tuning](/guides/training/training.md)
* [Advanced Configurations](/guides/advanced/advanced.md)


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