H-EKE

Pinned Repositories

htmd
HTMD: Programming Environment for Molecular Discovery
Language:Rich Text Format262 19 71659
cpptraj
Biomolecular simulation trajectory/data analysis.
Language:C++139 14 41565
ACEMD4
SCripts for ACEMD
00
AntibodyInterfacePrediction
software used in paper "Antibody interface prediction with 3D Zernike descriptors and SVM"
Language:C++0 0 00
pyKVFinder
pyKVFinder: Python-C parallel KVFinder
Language:Python22 4 1510
Zernike2D
Language:Python40
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Language:Python1.4k 43 2.3k664
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1.5k 82 2.8k531
graphpro
GraphPro is a versatile and pluggable OO python library designed for leveraging deep graph learning representations to gain insights into structural proteins and their conformations
Language:Python4 2 160
PART
Plumed Automatic Restraining Tool. A command line tool to prevent aggregation in molecular dynamics simulations.
Language:Python22

H-EKE's Repositories

H-EKE/ACEMD4
SCripts for ACEMD
00
H-EKE/AntibodyInterfacePrediction
software used in paper "Antibody interface prediction with 3D Zernike descriptors and SVM"
Language:C++0 0 00