Welcome to PLOS Computational Biology

Interspecies interactions are characterized conventionally by the net influence, positive or negative, a species exerts on another. Community ecology theories rely on these net interactions to describe the behaviour of multispecies communities. 

The authors introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating, and sampling dynamic networks for predictive coding. They improve over other frameworks by enclosing the network components as transparent, modular, and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary algorithms as belief propagation.

 Given the amino acid sequence of the original enzyme and a set of residues for which the local environment should be conserved, i.e., the catalytic site, the author's approach generates mutants that differ vastly in the overall sequence while retaining the geometry of the conserved region, representing promising candidates for further screening