Alternatives to YASARA
Compare YASARA alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to YASARA in 2026. Compare features, ratings, user reviews, pricing, and more from YASARA competitors and alternatives in order to make an informed decision for your business.
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1
SYNTHIA Retrosynthesis Software
Merck KGaA
Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you identify the best option according to your needs. Explore the most cost-effective routes to your target molecules with state of the art visualization and filtering options. Easily customize search parameters to eliminate or promote reactions, reagents or classes of molecules. Explore unique and innovative syntheses that may be unknown for building your desired molecule. Easily generate a list of commercially available starting materials for your synthesis. Benefit from ISO/IEC 27001 Information Security Certification to guarantee the confidentiality, integrity, and protection of your data.Starting Price: €0 / 30 days -
2
Ascalaph Designer
Agile Molecule
Ascalaph Designer is a general-purpose program for molecular dynamic simulations. Under a single graphical environment are represented as their own implementation of molecular dynamics as well as the methods of classical and quantum mechanics of popular programs. Molecular geometry optimization with conjugate gradient methods. Shows molecular models in separate windows. Each window has two cameras, which allow the model to be simultaneously visualized from two sides and in different graphic modes. The subwindow can be opened by dragging the splitter in the right corner of each graphical window. Clicking on an atom or bond with the left mouse button slightly changes their color and a brief info about the picked object appears in the status bar. The wire-frame style is convenient for large molecules, particularly, proteins. Drawing is very fast for this style. Finally, CPK wire frame combines the properties of several above styles.Starting Price: Free -
3
BIOVIA Discovery Studio
Dassault Systèmes
Today’s biopharmaceutical industry is marked by complexity: growing market demands for improved specificity and safety, novel treatment classes and more intricate mechanisms of disease. Keeping up with this complexity requires a deeper understanding of therapeutic behavior. Modeling and simulation methods provide a unique means to explore biological and physicochemical processes down to the atomic level. This can guide physical experimentation, accelerating the discovery and development process. BIOVIA Discovery Studio brings together over 30 years of peer-reviewed research and world-class in silico techniques such as molecular mechanics, free energy calculations, biotherapeutics developability and more into a common environment. It provides researchers with a complete toolset to explore the nuances of protein chemistry and catalyze discovery of small and large molecule therapeutics from Target ID to Lead Optimization. -
4
HyperProtein
Hypercube
HyperProtein is Hypercube, Inc.'s new product focusing on the computational science associated with protein sequences. The product includes the analysis of one-dimensional protein sequences as well as the analysis of consequent three-dimensional protein structures. In particular, the relationship between sequence and structure is a fundamental facet of the product. Unlike individual software programs that provide capability for some aspect of protein sequence or structure, such as sequence alignment, HyperProtein puts together a multitude of Bioinformatics and Molecular Modeling tools related to the science that initiates with a protein sequence. -
5
Avogadro
Avogadro
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free, open-source molecular editor and visualization tool, designed for use on Mac, Windows, and Linux in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. -
6
Promethium
Promethium
Promethium is a GPU-powered chemistry simulation platform designed to accelerate drug and materials development by enabling faster and more accurate quantum chemistry calculations. Built from the ground up for NVIDIA datacenter GPUs like A100, it employs novel QC Ware streaming algorithms to achieve unprecedented computational speed and high throughput-to-power consumption ratios. It supports density functional theory calculations on systems with up to 2,000 atoms, allowing simulations of large molecular systems that are not feasible with legacy CPU-powered ab initio codes. For instance, a single-point calculation of a 2,056-atom protein can be completed in 14 hours on a single GPU. Promethium offers a range of capabilities, including single-point energy calculations, geometry optimization, conformer search, torsion scan, reaction path optimization, transition state optimization, interaction energy computations, and relaxed potential energy surface scans.Starting Price: $30 per hour -
7
alvaBuilder
Alvascience
alvaBuilder is a no-code de novo molecular design software for generating novel chemical structures that satisfy user-defined structural, physicochemical, and modeling constraints. It enables the creation of new molecules starting from scratch or by evolving existing structures using fragment-based and rule-driven approaches. alvaBuilder integrates seamlessly with QSAR/QSPR workflows, allowing users to guide molecule generation using predictive models, descriptor ranges, and property targets. The software supports medicinal chemistry, lead optimization, and virtual screening tasks by efficiently exploring chemical space while maintaining chemical feasibility and interpretability. alvaBuilder is designed for research and industrial applications where transparent, controllable, and reproducible molecular generation is required. -
8
Swiss-PdbViewer
Swiss-PdbViewer
Swiss-PdbViewer (aka DeepView) is an application that provides a user-friendly interface allowing to analysis of several proteins at the same time. The proteins can be superimposed in order to deduce structural alignments and compare their active sites or any other relevant parts. Amino acid mutations, H-bonds, angles, and distances between atoms are easy to obtain thanks to the intuitive graphic and menu interface. Swiss-PdbViewer (aka DeepView) has been developed since 1994 by Nicolas Guex. Swiss-PdbViewer was initially tightly linked to SWISS-MODEL, an automated homology modeling server developed within the Swiss Institute of Bioinformatics (SIB) at the Structural Bioinformatics Group at the Biozentrum in Basel. However, the SWISS-MODEL web interface evolved to a point where it is now possible to use it directly for advanced modeling. Maintaining a direct interface with Swiss-PdbViewer is too complex and no longer supported. -
9
ArgusLab
ArgusLab
ArgusLab is a molecular modeling, graphics, and drug design program for Windows operating systems. It’s getting a little dated by now, but remains surprisingly popular. To date, there are more than 20,000 downloads. ArgusLab is freely licensed. You don’t need to sign anything. You can use as many copies as you need if you are teaching a class where your students might benefit from using ArgusLab. You are not allowed to redistribute ArgusLab from other websites or sources. However, you may link to this website from your own websites if you like. A low-key effort is currently underway to port ArgusLab to the iPad. In addition, I’ve done some work with the Qt cross-platform development environment in an effort to support Mac, PC, and Linux.Starting Price: Free -
10
alvaModel
Alvascience
alvaModel is a software tool for building, validating, comparing, and applying QSAR and QSPR models. It supports regression and classification workflows based on molecular descriptors and fingerprints, with a strong focus on model transparency, interpretability, and scientific robustness. The software includes multiple data splitting strategies, variable selection methods, modeling algorithms, and comprehensive internal and external validation procedures. alvaModel provides diagnostic plots, applicability domain analysis, and model comparison tools to support the identification of reliable and predictive models. Designed according to best practices in chemometrics, alvaModel facilitates the development of interpretable models consistent with the OECD principles for QSAR validation, making it suitable for research and regulatory-oriented applications. The graphical interface guides users through the entire modeling workflow while allowing full control over each modeling step. -
11
MoluCAD
New River Kinematics
MoluCAD is a full-featured molecular modeling and visualization tool designed for Windows. It is the result of a three-year National Institutes of Health biomedical technology research project aimed at producing low-cost educational software for chemistry students. The latest version incorporates many advanced features only found in expensive workstation-based modeling packages. Ease of use, premium graphical quality, and computational robustness are the trademarks of MoluCAD. Novice users are able to quickly generate models, view them form any perspective, create reaction animations, and save all data to disk. -
12
BIOVIA
Dassault Systèmes
BIOVIA solutions create an unmatched scientific management environment that can help science-based organizations create and connect biological, chemical and material innovations to improve the way we live. The industry-leading BIOVIA portfolio is focused on integrating the diversity of science, experimental processes and information requirements end-to-end across research, development, QA/QC and manufacturing. Capabilities over the areas of Scientific Informatics, Molecular Modeling/Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality & Compliance and Manufacturing Analytics. BIOVIA is committed to enhancing and speeding innovation, increasing productivity, improving quality and compliance, reducing costs and accelerating product development for customers in multiple industries. Manage and connect scientific innovation processes and information across the product lifecycle. -
13
Evo 2
Arc Institute
Evo 2 is a genomic foundation model capable of generalist prediction and design tasks across DNA, RNA, and proteins. It utilizes a frontier deep learning architecture to model biological sequences at single-nucleotide resolution, achieving near-linear scaling of compute and memory relative to context length. Trained with 40 billion parameters and a 1 megabase context length, Evo 2 processes over 9 trillion nucleotides from diverse eukaryotic and prokaryotic genomes. This extensive training enables Evo 2 to perform zero-shot function prediction across multiple biological modalities, including DNA, RNA, and proteins, and to generate novel sequences with plausible genomic architecture. The model's capabilities have been demonstrated in tasks such as designing functional CRISPR systems and predicting disease-causing mutations in human genes. Evo 2 is publicly accessible via Arc's GitHub repository and is integrated into the NVIDIA BioNeMo framework. -
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MolView
MolView
MolView is an intuitive, Open-Source web application to make science and education more awesome! MolView is mainly intended as a web-based data visualization platform. You can use MolView to search through different scientific databases including compound databases, protein databases and spectral databases, and view records from these databases as interactive visualizations using WebGL and HTML5 technologies. This web application is built on top of the JavaScript libraries and online services listed below. The Virtual Model Kit has been a source of inspiration for the birth of this project.Starting Price: Free -
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Evo Designer
Arc Institute
Evo Designer is an advanced tool developed by the Arc Institute, leveraging the capabilities of the Evo 2 genomic foundation model to facilitate DNA sequence generation and analysis. This platform enables users to input nucleotide sequences or specify organisms, prompting the model to generate corresponding DNA sequences. It provides comprehensive annotations of coding regions and, for prokaryotic sequences, offers 3D protein visualizations utilizing ESMFold. Additionally, Evo Designer evaluates sequences by scoring their perplexity and per-nucleotide entropy, assisting researchers in assessing sequence complexity and variability. The underlying Evo 2 model is trained on over 9 trillion nucleotides from a diverse array of prokaryotic and eukaryotic genomes, employing a deep learning architecture that models biological sequences at single-nucleotide resolution with a context window extending up to 1 million tokens. -
16
4Reality
4Reality Studio
4Reality is a versatile real-time rendering software designed to deliver photorealistic visualizations and simulations. It supports CAD and 3D model imports, offering advanced features like Lumen and Pathtracing technologies, dynamic sky simulation, and real-time VFX. Equipped with libraries of materials and models, 4Reality streamlines design processes for professionals in architecture, engineering, and product design. The software supports real-time DEM and CFD simulations, VR headset compatibility, point cloud imports, and advanced material creation. Additional tools include dynamic scene control, saved camera views, interactive annotations, and rendering without resolution limits. Available in French and English, 4Reality transforms 3D models into lifelike experiences.Starting Price: Free -
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MolPad
MolPad
MolPad integrates an interactive chemistry sketcher into any online learning platform. Build open questions about molecular structure and organic chemistry that go beyond just recognizing the right answer. Discover how MolPad can enrich online chemistry education by providing a low code environment for creating dynamic content and smart assessment. With MolPad, we have developed several solutions for interactive and intuitive drawing of structural formulas, enabling the student to practice with topics like chemical naming, functional groups, and Lewis structures in a digital environment. By providing smart feedback based on specific errors, the student can gain more insight than with multiple choice questions. -
18
Schrödinger
Schrödinger
Transform drug discovery and materials research with advanced molecular modeling. Our physics-based computational platform integrates differentiated solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. Our platform is deployed by industry leaders worldwide for drug discovery, as well as for materials science in fields as diverse as aerospace, energy, semiconductors, and electronics displays. The platform powers our own drug discovery efforts, from target identification to hit discovery to lead optimization. It also drives our research collaborations to develop novel medicines for critical public health needs. With more than 150 Ph.D. scientists on our team, we invest heavily in R&D. We’ve published over 400 peer-reviewed papers that demonstrate the strength of our physics-based approaches, and we’re continually pushing the limits of computer modeling. -
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ChemSketch
ACD/Labs
Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science. -
20
Tox Suite
ACD/Labs
Calculate drug toxicity and safety endpoints to reduce attrition rates of molecular entities that are unlikely to succeed to nomination as a drug candidate, direct new compound synthesis, and focus animal testing requirements. -
21
ChemDoodle
iChemLabs
ChemDoodle 2D contains thousands of chemistry features, helping you produce the highest quality graphics and saving you hours of work. We spend a very long time scrutinizing the graphics output in ChemDoodle. The software automatically orients bonds in the correct directions, merges bond strokes together, places attributes in the best locations and automatically makes smart decisions that lead to the most beautiful and appealing images. Of course, you can always override the software to your preference. Every component of the graphic is fully customizable. Whether you are looking to control bond widths, arrowhead sizes or shape transparency and color; you are in control. ChemDoodle’s drawing controls are made to clearly model the atoms and bonds they manage. Copious visual feedback is provided. There are also many options for customizing the drawing tools to your preference, including for accessibility concerns.Starting Price: $12.5 per month -
22
NVIDIA VRWorks
NVIDIA
VRWorks is a comprehensive suite of APIs, libraries, and engines that enable application and headset developers to create amazing virtual reality experiences. VRWorks enables a new level of presence by bringing physically realistic visuals, sound, touch interactions, and simulated environments to virtual reality. VRWorks Graphics SDK provides a set of versatile tools to enable ease of integration for application developers to deliver the best VR performance and image quality, with the most configurability and lowest latency. VRWorks Graphics SDK continues to be widely adopted by leading ISV developers in both the enterprise, creative, and gaming markets. Increase application rendering performance. Easy developer integration and extensive support for multiple graphics APIs. Best performance and image quality balance on new innovative platforms. VRSS 2 (Variable Rate Supersampling) is a solution that improves VR image quality using foveated rendering. -
23
PyMOL
PyMOL
PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger. PyQt interface replaces Tcl/Tk and MacPyMOL on all platforms. Better third-party plugin and custom scripting support. A comprehensive software package for rendering and animating 3D structures. A plug-in for embedding 3D images and animations into PowerPoint presentations. PyMOL is a commercial product, but we make most of its source code freely available under a permissive license. The open-source project is maintained by Schrödinger and ultimately funded by everyone who purchases a PyMOL license. Open access incentive executables. Liberal evaluation policy. Improved fuse command (disallows hypervalent bonds, substitutes monovalent atoms instead of attaching to them) Properties inspector now supports unsetting settings with the “delete” key. Fix workspace disappearing on specific display resolutions. -
24
QSimulate
QSimulate
QSimulate offers a suite of quantum simulation platforms that leverage quantum mechanics to solve complex, industrial-scale problems in life sciences and materials science. The QSP Life platform provides unique quantum-powered methods for drug discovery and optimization, enabling first-of-a-kind quantum simulations of ligand-protein interactions applicable throughout the computational drug discovery process. The QUELO platform performs hybrid quantum/classical free energy calculations, offering users the ability to run relative free energy calculations using the free energy perturbation (FEP) approach. Additionally, QSimulate's technology enables groundbreaking advances in quantum mechanics/molecular mechanics (QM/MM) simulations for large protein modeling. For materials science, the QSP Materials platform democratizes quantum mechanical simulations, allowing experimentalists to automate complex workflows without the need for specialization. -
25
Chemaxon Design Hub
Chemaxon
A platform that connects scientific rationale, compound design, and computational resources. Chemaxon’s Design Hub for medicinal chemistry from analysis to prioritize ideas. Design Compounds and manage ideas within one platform. A single platform that connects scientific rationale, compound design, and computational resources. Switch from PowerPoint files to graphical and chemically searchable hypotheses that are an integral part of the compound design process. Easily work with your trusted phys-chem properties, computational models, novelty issues, or purchasable compound catalogs in a rich visual environment. Involve your CROs in the compound progression process using this secure online service. Analyze collected evidence from biological assays or experimental structural information, extract SAR, and make new hypotheses for the next optimization iteration. Store your scientific hypotheses in a “designer's ELN” (chemically aware drawing canvases). -
26
OpenGL
OpenGL
OpenGL (Open Graphics Library) is a cross-language, cross-platform application programming interface for rendering 2D and 3D vector graphics. The API is typically used to interact with a graphics processing unit, to achieve hardware-accelerated rendering. Silicon Graphics, Inc. (SGI) began developing OpenGL in 1991 and released it on June 30, 1992. It is used for a variety of applications, including computer-aided design (CAD), video games, scientific visualization, virtual reality, and flight simulation. The OpenGL Registry contains specifications of the core API and shading language; specifications of Khronos- and vendor-approved OpenGL extensions; header files corresponding to the specifications; and related documentation including specifications, extensions, and headers for the GLX, WGL, and GLU APIs. -
27
Fuzzy Logic Studio
Fuzzy Logic Studio
Visualize digital information and assets in your real-world environment using a mobile, tablet, or smart glasses. Enter and interact with an entirely virtual environment using a headset or surrounding display. Create, launch, and scale cutting-edge AR/VR to impact your business outcomes. Recreate realistic working scenarios and improve knowledge retention. Improve safety and reduce the risk of downtime. Enhance your sales process to close deals in a shorter time span. Engage with your customers to generate loyalty and encourage repeat spending. Communicate effectively with your staff and make your messaging memorable. Create virtual site tours and reduce onboarding times. Understand the challenge you need to solve. Develop a solution tailored to your business. Roll out a solution that will transform your business. Expand your world with augmented reality and virtual reality. 3D visualization and simulation solutions to enhance enterprises. -
28
PyBullet
PyBullet
PyBullet is a Python module for physics simulation, robotics, and deep reinforcement learning, built on the Bullet Physics SDK. It supports loading articulated bodies from URDF, SDF, and other formats, providing forward dynamics simulation, inverse dynamics computation, kinematics, collision detection, and ray intersection queries. PyBullet offers rendering capabilities, including a CPU renderer and OpenGL visualization, with support for virtual reality headsets. It is utilized in various research projects, such as Assistive Gym, which leverages PyBullet for physical human-robot interaction and assistive robotics, supporting collaborative robots and physically assistive tasks. Another project, Kubric, is an open source Python framework interfacing with PyBullet and Blender to generate photo-realistic scenes with rich annotations, scaling to large jobs distributed over thousands of machines. -
29
SILCS
SilcsBio
Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. SILCS reveals intricacies of dynamics and provides tools to optimize ligand scaffolds using qualitative and quantitative binding pockets insights allowing more rapid and effective drug design. SILCS uses multiple small molecule probes with various functional groups, explicit solvent modeling, and target molecule flexibility to perform protein target mapping. Visualize favorable interactions with the target macromolecule. Gain insights to design better ligands with optimally placed functional groups. -
30
HumuloVR
HumuloVR
HumuloVR is an immersive virtual reality training software designed to deliver procedure-accurate, OSHA-aligned safety and maintenance training in simulated environments that reflect real industrial and hazardous work scenarios, helping organizations reduce accidents, improve retention, and accelerate competency development through hands-on experience rather than traditional classroom or video methods. It turns standard operating procedures, technical task plans, and job sheets into interactive VR simulations covering critical topics such as forklift fundamentals, lockout/tagout, confined space entry, fall protection, rigging, hazard recognition, battery forklifts, fire safety, ergonomics, and general hazard awareness, with each trainee receiving progress tracking and audit-ready certification tied to their individual profile. It runs on portable headsets, requires minimal setup, and can operate offline while also integrating objective performance data exportable via xAPI. -
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Nygen
Nygen
Nygen is a cloud-based single-cell RNA-seq (scRNA-seq) and multi-omics data analysis and discovery platform designed to let researchers upload, explore, visualize, analyze and interpret complex cellular datasets with an intuitive, no-code interface that supports drag-and-drop workflows and advanced scientific analysis without requiring programming expertise; it combines Nygen Analytics for rapid, reproducible scRNA-seq exploration with collaborative dashboards and publication-ready outputs, Nygen Database for accessing and hosting curated single-cell datasets to accelerate research and comparative studies, and Nygen Insights, an AI-augmented tool that delivers highly accurate cell annotations, in-depth disease impact analysis and tailored biological insights; it supports a wide range of data formats, integrates public data, enables secure cloud-based collaboration, and provides features like literature-linked evidence and biomarker-focused analyses. -
32
StarDrop
Optibrium
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds. -
33
ChemOffice
PerkinElmer Informatics
ChemOffice enhances scientists’ personal productivity and helps them do better science by enabling them to organize and explore their compounds, reactions and associated properties so that data can be turned into actionable information, and decisions can be made with greater confidence. ChemDraw for Excel adds chemical intelligence to Excel spreadsheets so that chemists can use Excel’s analysis, sorting and organization tools to further manipulate and enrich sets of compounds and data and explore structure-activity relationships. Chem3D generates 3D models so that chemists can view their compounds in three dimensions to assess shape and properties to maximize activity or specificity. ChemFinder is a chemically-intelligent personal database system that scientists use to organize their compounds and to search for and correlate structures with properties. -
34
Khimera
Kintech Laboratory
Khimera is used to calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties of substances and their mixtures in gases, plasmas and gas-solid phases boundary. The primary users are researchers and engineers, involved in kinetic model development as well as thermodynamic and kinetic modeling for chemical engineering, combustion, catalysis, metallurgy, and microelectronics areas. Khimera ideally fits the needs of multi-scale modeling providing the link between fundamental molecular properties of individual molecules and mesoscale ensemble-averaged characteristics of the reactive medium: thermodynamic and transport properties as well as rates of chemical reactions. All the models can use the results of quantum-chemical simulations as an input, thus providing the possibility to recover properties without any experimental input from the user side. -
35
Anatomage VR
Anatomage
Anatomage VR is a cost-effective, headset-free virtual reality solution that simulates floating 3D stereoscopic images of real human bodies. As a portable touchscreen tablet, Anatomage VR is anticipated to become an essential learning tool for students who want to access, review and process true anatomy materials after school. Anatomage VR’s content is derived from the renowned Anatomage Table’s real human anatomy data. It gives life to the donated human bodies by restoring their anatomy to the original forms through 3D projections. Anatomage VR can display floating 3D images that can be interacted with, touched, and manipulated for better views without relying on goggles or headsets. This removes the need for tackling multiple devices at the same time. Anatomage VR offers a budget-friendly, alternative route to access Anatomage Table’s real human anatomy, from digital bodies to pathology library, aiding students in learning anatomy concepts. -
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Chemical Computing Group
Chemical Computing Group
Chemical Computing Group (CCG) has a strong reputation for collaborative scientific support. With offices in North America, Europe and Asia, our team of PhD-level scientists works closely with our clients, providing support, hands-on training and scientific advice on a wide range of projects. CCG continuously develops new technologies with its team of mathematicians, scientists and software engineers and through scientific collaborations with customers. -
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Aurora Drug Discovery
Aurora Fine Chemicals
Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand´s binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies. Interaction of a ligand with a protein is characterized by the value of binding free energy. The free energy (F) is the thermodynamic quantity that is directly related to experimentally measurable value of inhibition constant (IC50) and depends on electrostatic, quantum, aqueous solvation forces, as well as on statistical properties of interacting molecules. There are two major contributing quantities leading to non-additivity in F: 1) the electrostatic and solvation energy and 2) the entropy. -
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Apex Officer
Apex Officer
Apex Officer is a virtual reality training simulator for police officers and law enforcement. Apex Officer provides police officers and law enforcement agencies with turnkey virtual reality force options training simulators and VR technology training solutions. We don't put a limit on how often you can use your simulator. You can train as many officers as you want, as often as you'd like. Apex Officer is the world’s most realistic and immersive VR force training simulator for law enforcement professionals. Train with real firearms and equipment modified specifically for a virtual reality training environment. When we say there are unlimited scenarios, we mean it. You are in complete control of your training content. Apex Officer customers receive the best technical service in the business. We update our software weekly. Through our history of providing innovative interactive virtual reality simulation training technology. -
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iSimulate
3B Scientific
iSimulate provides smart simulation solutions for patient monitoring that are used by organizations across the world. By using the best of current mobile technology, iSimulate creates products that are more realistic, cost-effective, and simpler to use than traditional systems. This allows educators to spend more time training and less time worrying about the technology. All of the systems are portable, allowing the flexibility to train anywhere at any time. iSimulate collaborates with medical experts and manufacturers to ensure uncompromising levels of detail. With ongoing software development, all of the iSimulation systems are continuously updated. REALITi 360 is a modular simulation ecosystem incorporating a patient simulator, CPR feedback, and video in a single system. Starting with 2 tablets in the basic version (REALITi Plus), REALITi is a highly advanced patient monitor simulator that mimics proprietary monitors and defibrillators. -
40
AppReal
AppReal
Experience photo-realistic augmented reality fashion apps built for watches, spectacles & furniture by the AppReal team. An Android app that provides the experience of photo-realistic 3D watch models on your wrist, this application is exclusively made for showrooms, anyone who walks into a retail outlet should have the option to try out and see all watch designs. The wrist detection web application provides a watch try-on experience, with the help of computer vision & AI, the wrist is tracked and a 2D watch image is placed on the wrist. Try it on the web. The wrist detection Android app provides the experience of photo-realistic watch models on your wrist, this application will enable users from their comfortable place to try out and see all watch designs online. The mobile app provides photo-realistic 3D and augmented reality models of furniture, glasses, watches, and all kinds of products.Starting Price: Free -
41
3decision
Discngine
3decision® is a cloud-based protein structure repository designed for comprehensive structural data management and advanced analytics, enabling small molecule and biologics discovery teams to accelerate structure-based drug design. It centralizes and standardizes experimental and in-silico protein structures from public sources like RCSB PDB and AlphaFoldDB, as well as proprietary data, supporting formats like PDBx/mmCIF and ModelCIF. This ensures easy access to X-Ray, NMR, cryo-EM, and modeled structures, fostering collaboration and enhancing research efforts. Beyond storage, 3decision® enriches entries with metadata and sequence information, including protein-ligand interactions, antibody annotations, and binding site details. Advanced analytical tools identify druggable sites, assess off-target risks, and enable binding site comparisons, transforming vast structural data into actionable knowledge. Its cloud-based platform facilitates collaboration among research teams. -
42
MEGA
MEGA
MEGA (Molecular Evolutionary Genetics Analysis) is a powerful and user-friendly software suite designed for analyzing DNA and protein sequence data from species and populations. It facilitates both automatic and manual sequence alignment, phylogenetic tree inference, and evolutionary hypothesis testing. MEGA supports a variety of statistical methods including maximum likelihood, Bayesian inference, and ordinary least squares, making it an essential tool for comparative sequence analysis and understanding molecular evolution. MEGA offers advanced features such as real-time caption generation to help explain the results and methods used in analysis and the maximum composite likelihood method for estimating evolutionary distances. The software is equipped with robust visual tools like the alignment/trace editor and tree explorer and supports multi-threading for efficient processing. MEGA can be run on multiple operating systems, including Windows, Linux, and macOS.Starting Price: Free -
43
alvaMolecule
Alvascience
alvaMolecule is a no-code cheminformatics tool for visualizing, curating, and standardizing molecular datasets before analysis. It supports common molecular formats (SMILES, SDF/MOL2) and lets users explore collections in grid or spreadsheet views, with automatic import of associated data. The software provides structure verification and standardization using predefined standardizers and custom SMIRKS rules, helps detect and manage duplicates, and offers scaffold analysis to summarize core frameworks. Built-in filters and charting tools enable sorting by substructure, calculated molecular descriptors, and physicochemical properties. alvaMolecule calculates ~88 structural and physicochemical properties, including drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, helping prepare high-quality datasets for QSAR/QSPR modeling, descriptor calculation, and virtual screening workflows. -
44
ChemDraw
PerkinElmer
Since 1985 ChemDraw® solutions have provided powerful capabilities and integrations to help you quickly turn ideas and drawings into publications you can be proud of. A chemistry communication suite, ChemOffice+ Cloud transforms your chemical drawings into chemical knowledge by facilitating the management, reporting and presenting of your Chemistry research. ChemOffice+ Cloud, is a robust, comprehensive suite, purpose-built to simplify, facilitate, and accelerate chemistry communication. The cloud-native chemistry communication suite builds on the foundations of ChemDraw Professional and adds access to a powerful set of tools to enable scientific research. The mundane task of creating reports to communicate chemical research has become much more efficient with ChemOffice+ Cloud. With powerful capabilities to search, reuse, select, and organize chemical structures and data, chemists can use ChemOffice+ Cloud to create presentation-ready PowerPoint slides and manuscripts. -
45
Chemaxon Marvin Pro
Chemaxon
Draw and publish chemical structures seamlessly with our web-based chemistry editor. Marvin Pro is a drawing tool that combines our chemically intelligent technology with a clean user interface. Chemists, researchers, and students can convert their thoughts into high-quality visual representations in no time. Marvin Pro handles a large number of objects, chemical structures, arrows, or texts, on a single canvas, and aligns them with precision. Chemical editors shouldn’t be complicated. With our intuitive solution, you can transform your chemical structure ideas into clear visuals. The quality of your chemical drawing should match the effort you put into your research. Marvin Pro allows you to create high-quality visuals that you can then present to your workplace. Let the Marvin Pro canvas become an extension of your mind. Add predefined templates or labels, color your structures, and insert images from external sources. You can even display the structure’s formula. -
46
Structure Elucidator
ACD/Labs
Elucidate complex structures from experimental data with the help of expert algorithms. -
47
VeraChem
VeraChem
VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug discovery and molecular design by developing computational chemistry methods that are based on cutting-edge basic science but are also applicable in applied science research settings. Efficient high-performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base. -
48
NVIDIA BioNeMo
NVIDIA
BioNeMo is an AI-powered drug discovery cloud service and framework built on NVIDIA NeMo Megatron for training and deploying large biomolecular transformer AI models at a supercomputing scale. The service includes pre-trained large language models (LLMs) and native support for common file formats for proteins, DNA, RNA, and chemistry, providing data loaders for SMILES for molecular structures and FASTA for amino acid and nucleotide sequences. The BioNeMo framework will also be available for download for running on your own infrastructure. ESM-1, based on Meta AI’s state-of-the-art ESM-1b, and ProtT5 are transformer-based protein language models that can be used to generate learned embeddings for tasks like protein structure and property prediction. OpenFold, a deep learning model for 3D structure prediction of novel protein sequences, will be available in BioNeMo service. -
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Microsoft Mesh
Microsoft
Microsoft Mesh enables presence and shared experiences from anywhere – on any device – through mixed reality applications. Connect with new depth and dimension. Engage with eye contact, facial expressions, and gestures. Your personality shines as technology fades away. Digital intelligence comes to the real world. See, share, and collaborate on persistent 3D content. This common understanding ignites ideas, sparks creativity, and forms powerful bonds. Enjoy the freedom to access Mesh on HoloLens 2, VR headsets, mobile phones, tablets, or PCs – using any Mesh-enabled app. Project yourself as your most lifelike, photorealistic self in mixed reality to interact as if you’re there in person. Move through your world and get relevant, digital information when, and where, you need it. This fluidity accelerates decision-making and speeds problem-solving. -
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Runway
Runway AI
Runway is an AI research and product company focused on building systems that simulate the world through generative models. The platform develops advanced video, world, and robotics models that can understand, generate, and interact with reality. Runway’s technology powers state-of-the-art generative video models like Gen-4.5 with cinematic motion and visual fidelity. It also pioneers General World Models (GWM) capable of simulating environments, agents, and physical interactions. Runway bridges art and science to transform media, entertainment, robotics, and real-time interaction. Its models enable creators, researchers, and organizations to explore new forms of storytelling and simulation. Runway is used by leading enterprises, studios, and academic institutions worldwide.Starting Price: $15 per user per month
