Pinned Repositories
martini
pele_platform
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
PELEAnalysis
Analysis scripts for PELE
pelevs
Docking protocol
pelissimo
Development of free energy binding energy scoring for PELE
pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
PELE_scripts
Scripts for PELE
prepare_proteins
A Python package to prepare PDB models for further calculations
ignasipuch's Repositories
ignasipuch/pelevs
Docking protocol
ignasipuch/pelissimo
Development of free energy binding energy scoring for PELE
ignasipuch/martini
ignasipuch/pele_platform
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
ignasipuch/PELEAnalysis
Analysis scripts for PELE
ignasipuch/pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling