Virtual screening is typically not performed by a single tool but rather a combination of multiple smaller applications. There are some commercial tools like Maestro (Schrodinger), MOE (CCG) or Discovery Studio (3DS) with highly optimized workflows and tools. Otherwise, you will have to combine various opensource tools for compound/target preparation, screening, automation, and analysis.

For the virtual screening, you can use the GLIDE module of Schrodinger software, where you can screen your initial ligand library (lacs of compounds) using the HTVS mode of the software, also you can run it using Standard Precision (SP) and Extra Precision (XP) mode of the Glide.

Virtual library screen by open source software Discovery studio, Mgl tools and autodockviena. In window install pearl and also perl script.

At a time 100 molecule screen or batch of 100 screen easily. P. L. P server to analyze also.

Thanks to All answered for my questions....

VSDK tool(Autodock Vina) (Free tool)

PyRx - Virtual Screening Tool (Free tool)

Schrödinger - Maestro module (Commercial tool)

Discovery studio (Commercial tool)

Thanks a Lot Gowdham..

I wanted to add PlayMolecule from Acellera. A free version is available at www.playmolecule.com.

It includes all to build your system, your libraries, perform high accuracy docking on congeneric series (winner of D3R Grand Challenge!) and Keep trainer to re-rank the docking. If you work with fragments, let me know, there is also one of the most accurate tool to determine fragment pose. All the best, Franck

You can use Schrödinger - Maestro tools (paid) or Autodock Vina (free) platforms.