0.0.2 - 2023.03.27

ale94mleon released this 27 Mar 20:04

· 41 commits to main since this release

d751bb2

Added

toff.utils.get_rdkit_mol accept sdf molecules too. Only the first molecule/conformer will be used.
Example using the safe_naming_prefix on toff.utils.Parameterize.

Assets 2