I am running Ubuntu 24.04.3 (GNU/Linux 6.6.87.2 -Microsoft Std -WSL2 x86_64) on Windows 11. I recently updated Miniconda. I followed the instructions for Autodock Vina installation in a Conda ...
smile2dock converts SMILES strings (single molecules or libraries) into 3D structures and common molecular file formats (PDB, PDBQT, MOL2, SDF). It also computes several molecular descriptors with ...