The accuracy of these calculations has been improved over time as the force fields, used to parameterize the system, have seen continued development . Ongoing work in the field aims to further these improvements with large collaborative endeavors such as the Open Force Field Initiative 9 and the development of systematic methods for force field optimization such as Force Balance 10 . Being able to calculate these binding free energies accurately can be of significant benefit to drug design campaigns, helping to reduce the large cost involved with drug development . Moreover, these calculations can allow for much larger areas of chemical space to be explored than would be possible experimentally. Compounds drawn from this chemical space can be selected from numerous sources such as chemical libraries , repurposing of approved drugs 13 , using generative AI methods or even other free energy calculations .