Products and Licensing

---

ICM-Pro Desktop Modeling

Click here for 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.

Read More

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.

Read More

ICM-Pro Virtual Ligand Screening (VLS) Module

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

Read More

ICM-Bio

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

Read More

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.

Read More

---

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.

Read More

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.

Read More

GigaScreen - Deep Learning

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

Read More

---

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.

Read More

ICM-Chemist-Pro

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

Read More

---

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.

Read More

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.

Read More

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.

Read More

---

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.

Read More

---

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.

Read More

ICM-Browser-Pro

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

Read More

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.

Read More

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.

Read More

• KNIME (Konstanz Information Miner) is a user-friendly and comprehensive open-source data integration, processing, analysis, and exploration platform. Our ICM KNIME nodes are free to use for customers who have licenses for ICM-Pro, ICM-Chemist, and ICM-Chemist-Pro.

Free Online Tools and Software

• ICM-Browser (Free Download) Software for browsing molecules and making fully-interactive 3D molecule documents for embedding in PowerPoint and the Web using ActiveICM.
• ActiveICM (Free Download) Enables you to view and display 3D ICM graphical slides and animations interactively inside Microsoft PowerPoint and web browsers such as Chrome, Edge, Safari and Mozilla Firefox.
• IcmJS is a free JavaScript/HTML5 version of the ActiveICM plugin.
• HTML5 Molecular Editor Fast, lightweight Java Script based molecular editor.
• PDB Viewer
• 2D to 3D Chemical Converter.
• Interactive Torsion Profile Prediction.
• Chemical Search.
• Drug Likeness prediction.
• GINGER This is a demo page for GINGER - Graph Internal-coordinate Neural-network conformer Generator with Energy Refinement for Large Chemical Libraries.

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.

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.

License Period and Type

We offer the following:

• Free download perpetual license (ICM-Browser)
• Annual
• 3 or 5 Year Multiyear Licenses
• Perpetual Licenses (selected products)
• Site Licenses
• Teaching Licenses

Other products and information

• We offer cluster licenses which can enable you to paralelize your experiments on your local servers or on the Cloud (AWS, Google Cloud ...).
• We can offer specially tailored easy-to-use graphical user interface products for Chemists and Biologists.

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.

• GeForce models are good if you do not plan to use hardware stereo.
• Quadro models can be used with hardware stereo

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

Platforms

Linux

• CentOS release 8
• openSUSE 15
• Ubuntu 18

Windows

Mac

Hardware Requirements for GPU Modules

• GINGER - Fast neural network conformer generattion
• RIDGE - GPU enhanced structure-based ligand docking and screening.
• GigaScreen - deep learning virtual screening.
• Molecular Dynamics in ICM-Pro.

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."