FALCON Version 1.0

The first version of the FALCON (Fast Active Learning for Computational ab initio mOlecular dyNamics) Code. It includes on-the-fly training of a ML model and uses its own uncertainty estimation to decide whether an exact calculation is required. Gaussian Process Regression (GPR) and its sparsified versions (SparseGPR) as implemented in the AGOX framework by Hammer and co-workers is implemented as default ML models. A base class is provided in order to make different ML frameworks work together with FALCON.