biosim-k8s

A repository containing the cluster configuration for CCPBioSim and HECBioSim resources.

Container Source	Build Status	Latest Build
ccpbiosim base container
uglymol container
aiida lysozyme workshop
aiida gpcr workshop
basic analysis workshop
basic statistics workshop
beginner workshop
clustering workshop
code_entropy workshop
docking workshop
enhanced sampling workshop 1
enhanced sampling workshop 2
equilibration workshop
introamber workshop
nemd workshop
openforcefield workshop
PCA workshop
pdb2pqr workshop
python workshop
qmmm workshop
structure validation workshop
ubiquitin workshop