Products and Licensing |
ICM-Pro | UL Library Screening | ICM-Chemist | MolScreen - AI/ML | ICM-Browser | MolCart | Scarab| Free Tools |
Click here for a Feature Comparison Chart.
ICM-Pro is MolSoft's Main Desktop Modeling Software with tools for Molecular Modeling (Biased Probability Monte Carlo and Molecular Dynamics) and Docking.
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 Virtual Ligand Screening (VLS) allows you to undertake high throughput structure- and ligand-based virtual screening on a local server or cloud.
ICM-Bio provides an environment for sequences, alignments, profiles, databases and connectivity with 3D structures with an alignment editor and annotator.
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.
Structure and Ligand Based Approaches to Screening Giga Sized Virtual Libraries
RIDGE (Rapid Docking GPU Engine) enables you to perform structure-based screening of ultra-large libraries.
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.
The GigaScreen method combines machine learning and deep learning tools to tackle the computational intensity of screening very large chemical databases.
CombiRIDGE is a new innovative GPU-accelerated solution for high-throughput ligand docking and screening which leverages MolSoft's generative neural network conformer enumeration method GINGER.
V-SYNTHES is a hierarchical, synthon-based virtual screening strategy that efficiently navigates gigascale make-on-demand chemical libraries by iteratively assembling and docking scaffold–synthon combinations
ICM-Chemist and Chemist-Pro are Standalone Products or can be Integrated into ICM-Pro
ICM-Chemist is a standalone suite of programs for chemical drawing and editing, chemical database generation, chemical searching, clustering, and enumeration.
ICM-Chemist-Pro is a standalone products containin 3D chemical tools, chemical superposition, 3D interactive ligand-receptor editing, and QSAR.
MolCart and Scarab are standalone products or can be integrated into ICM-Pro.
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 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 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.
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.
Free Download Software for browsing molecules and making fully-interactive 3D molecule documents for embedding in PowerPoint and the Web using ActiveICM.
A high quality visualizer and annotator for three dimensional molecular structures, sequences and alignments, chemical spreadsheets and biological data.
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 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.
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.
Floating The license is installed on a central server and managed by the license
manager. Any computer connected to that server can check out the license, provided a seat
is available. This setup is convenient for groups or labs, because it allows multiple
users to access the software from different machines at different times without having
to install a license on each workstation individually. The license manager keeps track
of availability and ensures that the number of concurrent users does not exceed the
purchased seats.
Node Locked The license is bound to a specific computer and managed locally by
the license manager. Only that machine can run the software. This option is typically
used by individual researchers or single-user environments where access from multiple
computers is not required.
Both Floating and Node Locked licenses are offered at the same price. The choice depends
on the intended use: Floating licenses provide greater flexibility in collaborative
environments, while Node Locked licenses are a straightforward solution for single users.
We offer flexible licensing options including free perpetual (ICM-Browser), annual, multiyear, perpetual, site, and teaching licenses.
For high-throughput structure-based or ligand-based virtual screening and molecular modeling,
it is usually more efficient to run the calculations on a dedicated server or through
cloud. The license manager (FlexLM or LMX) handles distribution of
the license across the computing resources, ensuring that jobs can be run in parallel
while respecting the number of CPUs or GPUs licensed.
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 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.
Please note at present RIDE, RIDGE and GINGER GPU usage is available to users operating on the Windows or Linux platforms and GPU MD is available on all platforms.
ICM runs on the Windows, Mac and Linux operating systems as well as high performance multi-processor clusters and Cloud (AWS, Azure and Google).
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.
For all our GPU tools we recommend:
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 ).
Feature Comparison | Minimum Specs | Licensing | New Features
ICM-Pro Desktop Modeling
ICM-Pro Desktop Modeling
ICM-Pro Homology Module
ICM-Pro Virtual Ligand Screening (VLS) Module
ICM-Bio
GINGER
ICM-Pro - Ultra Large Virtual Screening
RIDGE
GPU-RIDE
GigaScreen - Deep Learning
CombiRIDGE
V-SYNTHES
Cheminformatics and Drug Design
ICM-Chemist
ICM-Chemist-Pro
Database Management
MolCart
ICM-Scarab
MolCart Giga-Search
AI and ML Screening Models
MolScreen
ICM-Browser Molecular Graphics
ICM-Browser
ICM-Browser-Pro
ActiveICM & JavaScript
iMolView
ICM KNIME Nodes
Free Online Tools and Software
Product Feature Comparison
Licensing
ICM licenses are managed using industry-standard license managers such as FlexLM or LMX.
This allows for flexible control over how the software is accessed and used within an
organization. There are two main types of licenses available:
CPU and GPU Cluster and Cloud Licenses
Unlock Enhanced Modeling Performance with GPU Licensing in ICM
Minimum Recommended Hardware Specifications for CPU Modules
Supported Platforms
CPU Hardware Specification
Graphics Card
Hardware Requirements for GPU Modules
The following products are optimized to run on GPU using NVIDIA chips on Windows and Linux:
Disk space depends on what you are going to screen the .molt files take up approximately 1 GB per 1 billion chemicals e.g Enamine CombiRIDGE anchor library is 48B chemicals in size and takes 55Gb of disk space.
Architecture
Gaming GPUs
Workstation GPUs
Data Center GPUs
Ampere
RTX 3090 / 24GB
~$1,000A6000 / 48GB
~$4,000A100 / 80GB
~$8,000
Ada Hopper
RTX 4090 / 24GB
~$1,600RTX 6000 Ada / 80GB
~$8,000L40CNX / H100
>$30,000Stereo Glasses and Monitors
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