6 results for “topic:conformer-generation”
Chemical intuition for surface science in a package.
Simple webapp for generating small ligand conformers
Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
QueueTY (pronounced Cutie, short for Queue, Thank You) is a program that enables users to automate computational calculations of molecules using Vconf, turbomole and COSMOtherm.
A lightweight C++ command-line tool to convert SMILES strings to PDB files with conformer generation using RDKit
No description provided.