uob-positron-imaging-centre / openmm-rust Goto Github PK

Hi! I just found this nice crate and wonder if it's still maintained? In particular I would be interested in bindings for more recent openmm versions. Perhaps it would be easier to maintain if no build step is removed and the user is forced to provide a path to an existing OpenMM installation (which includes headers needed for bindgen). Often OpenMM is compiled against specific CUDA versions and is often already provided by e.g. a cluster service. If would also avoid the dependence of the openmm-mirror repository.
Thanks / Mikael