(1) The DistanceRotatron, which serves as the default optimization environment in BuildAMol. It aims to maximize pairwise distances between graph nodes in order to obtain a conformation with maximal spatial occupancy. Since the heuristic computes distances between pairs of nodes, its computational load can be heavy for large input graphs. To address this, we developed (2) the OverlapRotatron. This environment models all nodes between two rotatable edges, a so-called "rotation unit", using a Gaussian Mixture Model. The environment's heuristic is set toward minimizing the overlap between all Gaussians in order to achieve a conformation with maximal spatial occupancy. Both the DistanceRotatron and OverlapRotatron strictly perform "unfolding" operations and are not suited for optimizing molecules with prominent non-covalent interactions such as Hydrogen bonds. To account for cases where such purely geometric considerations may not be sufficient for optimization, we also developed (3) the ForceFieldRotatron. This environment uses RDKit's Merck Molecular Force Field (MMFF) to compute the molecular energy of a particular conformation, which directly serves as the optimization metric.