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- sampel-group.github.io Public
SAMPEL-Group/sampel-group.github.io’s past year of commit activity - capSACIN Public
SAMPEL-Group/capSACIN’s past year of commit activity - solvent-inclusive-mlmm Public
Files to reproduce results of a study on solvent-inclusive ML/MM simulations
SAMPEL-Group/solvent-inclusive-mlmm’s past year of commit activity - pointnet_crystal Public
SAMPEL-Group/pointnet_crystal’s past year of commit activity - LeaPP_Zenodo Public
This directory serves as a redirect to the example codes from LeaPP manuscript (Hall, S. W.; Minh, P.; Sarupria, S. LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories. Journal of Chemical Theory and Computation 2025, 21, 4121-4133, PMID: 40223228.) on Zenodo.
SAMPEL-Group/LeaPP_Zenodo’s past year of commit activity - Arginine-Hydrophobic-Polymer Public
Input files, parameters, and analysis codes for "Flipping Out: Role of Arginine in Hydrophobic Interactions and Biological Formulation Design"
SAMPEL-Group/Arginine-Hydrophobic-Polymer’s past year of commit activity - RSeeds Public
SAMPEL-Group/RSeeds’s past year of commit activity
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