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Products and Licensing


ICM-Pro + Modules | Ultra Large Library Virtual Screening | ICM-Chemist + Pro | MolScreen - AI/ML Models | ICM-Browser + Pro | Chemical Search & Management | Free Tools |
Feature Comparison | Minimum Specs | Licensing | New Features

Since 1994 Molsoft LLC has been a leader in the development and production of computational chemistry and bioinformatics software. Our clients include academic research institutes and large pharmaceutical companies. Molsoft's technology encompasses a broad range of algorithms from sequence analysis to structure-based drug design are combined into several easy-to-use packages.

ICM-Pro Desktop Modeling

Click here for a summary of MolSoft's Products and a Feature Comparison Chart

ICM-Pro Desktop Modeling

ICM-Pro is MolSoft's Main Desktop Modeling Software with tools for Molecular Modeling (Biased Probability Monte Carlo and Molecular Dynamics) and Docking.

ICM-Pro Homology Module

In the Homology Module you can search for homologys, build structure-based sequence alignments and build single- and multi- chain homology models including loops.

ICM-Pro Virtual Ligand Screening Module

ICM Virtual Ligand Screening (VLS) allows you to undertake high throughput structure- and ligand-based virtual screening on a local server or cloud.

ICM-Bio

ICM-Bio provides an environment for sequences, alignments, profiles, databases and connectivity with 3D structures with an alignment editor and annotator.

GINGER

GINGER (Graph Internal-coordinate Neural-network conformer Generator with Energy Refinement) is Molsoft's new cutting-edge software designed for lightning-fast high quality conformer library generation on GPUs.

ICM-Pro - Ultra Large Virtual Screening

Structure and Ligand Based Approaches to screening Giga Sized Virtual Libraries

RIDGE

RIDGE (Rapid Docking GPU Engine) enables you to perform structure-based screening of ultra-large libraries.

GPU-RIDE

The efficiency of the ligand-based virtual screening Rapid Isostere Discovery Engine (RIDE) method can be significantly enhanced through the utilization of a GPU-RIDE license.

GigaScreen - Deep Learning

The GigaScreen method combines machine learning and deep learning tools to tackle the computational intensity of screening very large chemical databases.

Cheminformatics and Drug Design

ICM-Chemist and Chemist-Pro are Standalone Products or can be Integrated into ICM-Pro

ICM-Chemist

ICM-Chemist is a standalone suite of programs for chemical drawing and editing, chemical database generation, chemical searching, clustering, and enumeration.

ICM-Chemist-Pro

ICM-Chemist-Pro is a standalone products containin 3D chemical tools, chemical superposition, 3D interactive ligand-receptor editing, and QSAR.

Database Management

MolCart and Scarab are standalone products or can be integrated into ICM-Pro.

MolCart

MolCart is a chemical cartridge which allows you to store large chemical compound libraries for searching and analysis. It uses a fast relational database which is freely available without any limitations.

ICM-Scarab

ICM-Scarab is a software to easily store and disseminate many different forms of scientific data. Scarab contains tools for data mining, extraction, insertion and also has a built in electronic lab notebook.

MolCart Giga-Search

MolCart Giga-Search enables you to perform substructure and fingerprint search of BILLIONS of chemicals in seconds. For example you can search large giga-seized libraries such as Enamine REAL and the ZINC database very efficiently.

AI and ML Screening Models

MolScreen

MolScreen is a set of high quality 2D and 3D AI/ML models for a broad range of pharmacology and toxicology targets. The models can be used for lead discovery or counter screening.

ICM-Browser Molecular Graphics

ICM-Browser

Free Download Software for browsing molecules and making fully-interactive 3D molecule documents for embedding in PowerPoint and the Web using ActiveICM.

ICM-Browser-Pro

A high quality visualizer and annotator for three dimensional molecular structures, sequences and alignments, chemical spreadsheets and biological data.

Active ICM and ICM Java Script

Icm Java Script (ICMJs) is a JavaScript/HTML5 3D molecular viewer which does not require any plug-in or browser extension and runs inside any modern browser. IcmJS brings desktop quality graphics to the web applications.

iMolView

iMolview is an app for the iPhone/iPad and Android that lets you browse protein, DNA, and drug molecules in 3D. The app has a direct link to the Protein Data Bank (PDB) and DrugBank and has a fast and easy to use interface.

ICM KNIME Nodes

Free Online Tools and Software

Product Feature Comparison

We do our best to keep this list as accurate as possible but please contact us if you have any questions about any particular features and we will be happy to answer any questions you have. Please click here for a more detailed feature comparison.

Licensing

There are two types of licenses:

  1. Floating The license is placed on a server and any machine connected to that server can check out the license
  2. Node Locked The license is placed on a single machine and use is limit ed to that machine.

NOTE: The price is the same for Floating or Node Locked licenses. Generally the Floating license is more popular because it gives the user alot more flexibility with the use of ICM. Floating cluster licenses protect against hardware failure s and replacements.

Cluster and Cloud Licenses For high throughput structure- or ligand based- virtual screening and molecular modeling it usually efficient to run the screen on a server or cloud. Pricing depends on the number of CPUs (structure-based vls / modeling) or GPUs (ligand-based screening, RIDGE, GIGA Screen - see below) you wish to use for the modeling. Pricing for a cluster license can be obtained on request.

Unlock Enhanced Modeling Performance with GPU Licensing in ICM

At Molsoft, we understand the importance of optimizing your workflow by harnessing the power of GPUs for specific tools. Regular ICM licenses run on CPUs but our GPU licensing offers a range of specialized license keys tailored to your needs:

Molecular Dynamics: With your regular ICM-Pro license, you can effortlessly utilize Molecular Dynamics on any available GPU(s) within your computer, unlocking exceptional performance for your simulations. No specific GPU license is required for MD, making it even easier to dive into the world of GPU-accelerated simulations.

RIDE: While RIDE naturally runs on CPU, our exclusive RIDE-GPU license empowers you to accelerate ligand-based screening processes and fully exploit the potential of GPUs. Experience the speed and efficiency gains as you screen millions of chemicals/sec.

RIDGE: RIDGE is designed to fully harness the capabilities of GPUs for structure-based virtual screening. To access its cutting-edge features, acquire a separate RIDGE GPU license key and increase your screening capability more than 100 fold.

GINGER: GINGER (Graph Internal-coordinate Neural-network conformer Generator with Energy Refinement) is Molsoft's new cutting-edge software designed for lightning-fast high quality conformer library generation on GPUs.

Note: At present, GPU usage is available to users operating on the Windows or Linux platforms.

License Period and Type

We offer the following:

Other products and information

Minimum Recommended Hardware Specifications

ICM runs on the Windows, Mac and Linux operating systems as well as high performance multi-processor clusters. Below are some of the minimum specifications needed - please contact us if you have any questions.

Hardware Specification

Minimum recommended hardware specification for Windows, Mac, and Linux:

200 Mb of disk space and 2Gb or more of RAM. 4Gb is a good default.

Graphics Card

The Graphic card should have Hardware OpenGL acceleration and 512Mb or more memory. (1024Mb or more is recommended)

We recommend NVIDIA (http://www.nvidia.com) brand.

We do not recommend Intel graphics cards but ICM will still work with an Intel card.

Platforms

Linux

Any modern Linux distribution will work. At MolSoft we use the following versions (or higher).

Windows

All Windows versions are supported.

Mac

All MacOS versions are supported.

Hardware Requirements for GPU Modules

The following products are optimized to run on GPU using NVIDIA chips on Windows and Linux: Please see the minimum GPU requirements below

Architecture Gaming GPUs Workstation GPUs Data Center GPUs
Ampere RTX 3090/24GB
~$1000		 A6000/48GB
~$4000		 A100/80GB
~$8000
Ada Hopper RTX 4090/24GB
~$1600		 NVIDIA RTX 6000 Ada/80GB
~$8000		 L40CNX/H100
>$30,000

Stereo Glasses and Monitors

We recommend the Zalman 3D monitor and Crystal Eye Glasses. Anaglyph stereo is supported in version 3.8 and above therefore only cheap red/cyan glasses are needed (see http://www.molsoft.com/news.html#anaglyph3D ).

"Molsoft's ICM is a set of very potent tools covering the entire drug design cycle from homology modeling of a target protein to virtual screening, flexible ligand docking and scoring. In addition, the scripting language allows an advanced user to adjust ICM scripts to the needs of a particular research project."

Dr. Mark Shenderovich, Principal Scientist, Structural Bioinformatics, Inc.

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