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license: apache-2.0 |
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pipeline_tag: graph-ml |
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--- |
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# Model Card for Model ID |
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This repository contains the FlashMD universal models. These are models designed to run accelerated molecular dynamics for chemical systems across the periodic table. |
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## Model Details |
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These models offer acceleration with respect to traditional molecular dynamics by allowing the use of larger steps. We offer models that predict molecular dynamics |
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using the following time steps: |
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- 1 fs |
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- 4 fs |
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- 8 fs |
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- 16 fs |
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- 32 fs |
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- 64 fs |
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### Model Sources |
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- **Repository:** https://github.com/lab-cosmo/flashmd |
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- **Paper [optional]:** Not yet available |
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- **Demo [optional]:** Not yet available |
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## How to use |
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These models are supposed to be used with the flashmd package, which is available on PyPI (`pip install flashmd`). |
