Fig. 7
From: Chemoinformatics and structural bioinformatics in OCaml
Git diff after parallelization of EleKit. Parallelizing EleKit using Parmap was a two lines change in \(\sim 3000\) lines of code. All program development and debugging was done on sequential code. With an electrostatic calculation run-time of approximately 2 min per small molecule, parallelization was mandatory for production use of EleKit on thousands of molecules