Re: [Rdkit-discuss] Question about source code to do energy minimization with UFF or MMFF94 force field

[Andrew D. <da...@da...>]

Hi Srdjan,

> On Sep 11, 2024, at 11:12, Srdjan Pusara <srd...@ho...> wrote:
>   I would like to ask is it possible to find source code how these [UFF] interaction terms were implemented?

The RDKit source code is available at https://github.com/rdkit/rdkit/tree/master .

Use the green button labeled "<> Code" to get the source code either through the git version control tool, or as a zip file.

If you want to use the web interface, see https://github.com/rdkit/rdkit/tree/master/Code/ForceField/UFF

Best regards,

				Andrew
				da...@da...