Pinned Repositories
CP_tutorial
Introduction to cyclic peptide simulations and our group's protocols.
cPEPmatch
Computational approach to rationally design cyclic peptides that bind to protein-protein interfaces.
MD-parameter
ML-For-Beginners
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
script
contact_map
Contact map analysis for biomolecules; based on MDTraj
DPA
The DPA package is the scikit-learn compatible implementation of the Density Peaks Advanced clustering algorithm. The algorithm provides robust and visual information about the clusters, their statistical reliability and their hierarchical organization.
PyRosetta.notebooks
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
documentation
SIRAH Force Field
astomer2's Repositories
astomer2/CP_tutorial
Introduction to cyclic peptide simulations and our group's protocols.
astomer2/cPEPmatch
Computational approach to rationally design cyclic peptides that bind to protein-protein interfaces.
astomer2/MD-parameter
astomer2/ML-For-Beginners
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
astomer2/script