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pablo-arantes authored Mar 1, 2025
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Expand Up @@ -51,7 +51,7 @@ The main goal of this work is to demonstrate how to harness the power of cloud-c
First, we made MD simulations rain down from the cloud. Now, we’re bringing deep learning into the mix!

14. **Subsampled AlphaFold2** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/GMdSilva/gms_natcomms_1705932980_data/blob/main/AlphaFold2_Traj_v1.ipynb) - `Colab notebook for running the subsampled AlphaFold2 approach for predicting protein conformational ensembles.`
15. **Biomolecular Emulator** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)]() - `Biomolecular Emulator (BioEmu), a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence.`
15. **Biomolecular Emulator** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/pablo-arantes/making-it-rain/blob/main/BioEmu.ipynb) - `Biomolecular Emulator (BioEmu), a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence.`

Want to try MD simulation on NAMD using Google Colab? [**Mostafa Sayed**](https://github.com/mabdelmaksoud53) create a colab notebook for running MD simulations using NAMD and CHARMM-GUI inputs. [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/mabdelmaksoud53/Colab_NAMD_Suite/blob/main/MD_NAMD.ipynb)

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