Ask me for the availability of the following software projects (see also ZIB projects!):

• ZIBgridfree. Statistical Thermodynamics via sampling and conformation dynamics simulation of the canonical ensemble for drug-sized molecules, based on a meshfree discretization of configuration space. based on parts of Amira(TM)
• ConfJump. Hybrid Monte Carlo method combined with jump steps between conformations for a fast computation of the global canonical ensemble distribution. based on parts of Amira(TM)
• PCCA+. Cluster Analysis based on a stochastic matrix with a perturbed hidden block structure. ask for code
• ZIBsampling. Combination of ZIBgridfree, ConfJump and PCCA+ for stable statistical thermodynamics simulations. based on parts of Amira(TM)
• ZIBnearest. Affine invariant computation of a similarity matrix based on incomplete vector valued data. public domain