Somebody knows if there is some program (or computational routine)that calculate atomic charges for a large database of compounds (e.g. > 10.000)?

I'll try the atomic charges for a database of 10.000 compounds in a mol2 (or sdf) format and I wonder to know if there is some program or some computational routine (script, flow chart) to do this...

25 April 2018 240 2 View