Alternatives to NAMD
Compare NAMD alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to NAMD in 2026. Compare features, ratings, user reviews, pricing, and more from NAMD competitors and alternatives in order to make an informed decision for your business.
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1
GROMACS
GROMACS
GROMACS is a free and open source suite for high-performance molecular dynamics and output analysis. It is a versatile package for simulating the Newtonian equations of motion for systems with hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulation, and particle-based systems. GROMACS is primarily designed for biochemical molecules such as proteins, lipids, and nucleic acids, which involve many complicated bonded interactions, but its speed in calculating nonbonded interactions also makes it useful for non-biological systems such as polymers and other materials. It can model ensembles of particles in liquid, solid, or gaseous states and supports a wide range of molecular dynamics workflows, from basic energy minimization and equilibration to production simulations and detailed trajectory analysis.Starting Price: Free -
2
ESPResSo
ESPResSo
ESPResSo, the Extensible Simulation Package for Research on Soft Matter, is a highly versatile open source simulation package for performing and analyzing scientific molecular dynamics and Monte Carlo many-particle simulations. It is designed as a universal tool for simulating a variety of soft matter systems, especially coarse-grained atomistic or bead-spring models used in physics, chemistry, molecular biology, and process engineering. ESPResSo can be used to simulate polymers, liquid crystals, colloids, polyelectrolytes, ferrofluids, gels, biological systems, DNA, lipid membranes, bacterial motion, and super-capacitors. In coarse-grained models, a group of atoms or molecules is treated as a single bead, allowing researchers to investigate larger time and length scales than would be practical with fully atomistic simulations. ESPResSo supports classical molecular dynamics simulations in different statistical ensembles.Starting Price: Free -
3
LAMMPS
LAMMPS
LAMMPS, the Large-scale Atomic/Molecular Massively Parallel Simulator, is a classical molecular dynamics code with a focus on materials modeling. It models ensembles of particles in liquid, solid, or gaseous states and can simulate atomic, polymeric, biological, solid-state, granular, coarse-grained, mesoscopic, or macroscopic systems using many interatomic potentials, force fields, and boundary conditions. LAMMPS can model systems in two or three dimensions, from only a few particles up to billions, and is designed to run efficiently on parallel computers while remaining easy to extend and modify. It includes potentials for solid-state materials such as metals and semiconductors, soft matter such as biomolecules and polymers, and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generally, as a parallel particle simulator at atomic, meso, or continuum scale.Starting Price: Free -
4
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 -
5
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 -
6
MercuryDPM
MercuryDPM
MercuryDPM is an open source code for discrete particle simulations, designed to simulate the motion of particles or atoms by applying forces and torques from external body forces, such as gravity or magnetic fields, and from particle interaction laws. For granular particles, these forces are typically contact forces, including elastic, plastic, viscous, and frictional interactions, while molecular simulations can use interaction potentials such as Lennard-Jones. MercuryDPM is written as a versatile, object-oriented C++ code and is built to be understandable, flexible, and extensible for researchers and engineers who need to create new simulation models. It is developed extensively for granular applications, while remaining adaptable to other particle-based systems and long-range interactions. Its documentation guides users through installation, running simulations, visualization, analysis, and creating new MercuryDPM codes to model systems of their choice.Starting Price: Free -
7
LIGGGHTS
CFDEM
LIGGGHTS is an open source Discrete Element Method particle simulation tool for modeling particulate materials, with a focus on industrial granular and granular heat-transfer simulations. LIGGGHTS stands for “LAMMPS improved for general granular and granular heat transfer simulations,” and it builds on the LAMMPS molecular dynamics platform to extend DEM capabilities toward practical industrial applications. It can be used to simulate systems where material behavior emerges from the motion, collision, friction, cohesion, heat transfer, and interaction of individual particles. It is suitable for analyzing powders, grains, bulk solids, particulate flows, packed beds, conveying systems, mixing processes, hopper discharge, material handling, and other granular systems where particle-scale behavior matters. LIGGGHTS is currently used by research institutions and companies worldwide for the simulation of particulate materials, especially where open source flexibility.Starting Price: Free -
8
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. -
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YASARA
YASARA
YASARA is a molecular graphics, modeling, and simulation program for Windows, Linux, MacOS, and Android developed in 1993, that finally makes it really easy to answer your questions. With an intuitive user interface, photorealistic graphics, and support for affordable virtual reality headsets, shutter glasses, autostereoscopic displays, and input devices, YASARA creates a new level of interaction with the 'artificial reality', that allows you to focus on your goal and forget about the details of the program. YASARA is powered by PVL (Portable Vector Language), a new development framework that provides performance way above traditional software. PVL allows you to visualize even the largest proteins and enables true interactive real-time simulations with highly accurate force fields on standard PCs, making use of GPUs if available. You can push and pull molecules around and work with dynamic models instead of static pictures.Starting Price: Free -
10
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. -
11
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. -
12
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. -
13
ChemSketch
ACD/Labs
Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science. -
14
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. -
15
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. -
16
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. -
17
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. -
18
XPS (eXtended Particle Simulations)
InSilicoTrials
XPS, or eXtended Particle Simulations, is a state-of-the-art Discrete Element Method simulation software developed by RCPE and distributed globally by InSilicoTrials for high-fidelity particle-based process simulation. Designed specifically for pharmaceutical applications, XPS accurately predicts powder and granular behavior, helping teams better understand, predict, and control pharmaceutical unit operations. It relies on advanced contact models to describe the flow behavior of granular materials and uses massively parallel algorithms optimized for modern GPUs to accelerate simulations, including simulations with up to 100 million particles. XPS helps pharmaceutical engineers assess process configurations in unprecedented detail, explore decision space virtually, reduce costly and time-consuming physical experiments, and support data-driven process development. -
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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. -
20
Edison Scientific
Edison Scientific
Edison Scientific is an AI platform designed to automate and accelerate scientific research, enabling users to move from hypothesis to validated results within a single environment. The platform integrates literature synthesis, data analysis, and molecular design workflows, allowing research teams to complete end-to-end scientific investigations at dramatically increased speed. At its core is Kosmos, an autonomous research system that performs hundreds of research tasks in parallel, transforming multimodal datasets into comprehensive reports with validated findings and publication-ready figures. Kosmos synthesizes scientific literature, public databases, and proprietary datasets, identifies novel therapeutic targets, uncovers biological mechanisms, and supports the iterative design and optimization of molecular candidates. Validated in real research settings, Kosmos has demonstrated the ability to achieve results that typically require months of human effort in a single day.Starting Price: $50 per month -
21
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. -
22
BIOVIA Materials Studio
Dassault Systèmes
BIOVIA Materials Studio is a comprehensive modeling and simulation environment designed to enable researchers in materials science and chemistry to predict and understand the relationships between a material’s atomic and molecular structure and its properties and behavior. Utilizing an "in silico first" approach allows for the optimization of material performance in a cost-effective virtual setting prior to physical testing. It supports a wide range of materials, including catalysts, polymers, composites, metals, alloys, pharmaceuticals, batteries, and more. It offers tools for quantum, atomistic, mesoscale, statistical, analytical, and crystallization simulations, facilitating the design of advanced materials across various industries. Features include the ability to accelerate innovation, reduce R&D costs through virtual screening, and improve efficiency by automating best practices within Pipeline Pilot. -
23
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. -
24
SnapGene
SnapGene
Accurately design and simulate cloning procedures. Test complicated projects, catch errors before they happen, and obtain the right constructs the first time. Cloning is easier when you can see what you are doing. The intuitive interface offers you unparalleled visibility into your work, simplifying often complex tasks. SnapGene automates documentation, so you don’t have to. See and share every sequence edit and cloning procedure that led to your final plasmid. Improve your core molecular biology procedures, and improve your results. Master SnapGene and key concepts in cloning with our new online learning center, SnapGene Academy. Containing over 50 video tutorials taught by scientific experts, SnapGene Academy helps you advance your skills across multiple molecular biology courses. SnapGene 7.2 provides a new visualization of primer homodimer structures and enhancements to file management, allowing tabs to be organized in multiple windows using drag and drop.Starting Price: $295 per year -
25
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. -
26
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. -
27
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 -
28
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. -
29
JADBio AutoML
JADBio
JADBio is a state-of-the-art automated Machine Learning Platform without the need for coding. With its breakthrough algorithms it can solve open problems in machine learning. Anybody can use it and perform a sophisticated and correct machine learning analysis even if they do not know any math, statistics, or coding. It is purpose-built for life science data and particularly molecular data. This means that it can deal with the idiosyncrasies of molecular data such as very low sample size and very high number of measured quantities that could reach to millions. Life scientists need it to understand what are the features and biomarkers that are predictive and important, what is their role, and get intuition about the molecular mechanisms involved. Knowledge discovery is often more important than a predictive model. So, JADBio focuses on feature selection and its interpretation.Starting Price: Free -
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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. -
31
X-Particles
INSYDIUM
Create outstanding ParticleFX from Solar Systems, FUI, Holograms and medical visualizations to abstract artwork. Multiple options to combine Emitters and Modifiers, gives you a range of possibilities. Realistic smoke, fire and explosive simulations. You can export ExplosiaFX as a VDB volume, and any render engine that can read the VDB data can then render the volume data. Our Liquid and Grain Solvers enable you to create stunning large and small-scale fluid simulations. From gorgeous beaches, with waves and ocean spray, to beautiful product shot splashes. Drive Cloth simulations with any Modifier, then rip it apart with the advanced tearing options. ClothFX adds a whole new dimension to motion design effects and destruction VFX shots. -
32
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 -
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alvaDesc
Alvascience
alvaDesc is a cheminformatics software for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns for QSAR, QSPR, read-across, and machine learning applications. It computes more than 5,000 molecular descriptors (0D–3D), including constitutional, topological, geometrical, electronic, physicochemical, and fragment-based descriptors. The software also generates molecular fingerprints and structural pattern counts for similarity analysis, clustering, and classification. Integrated tools support descriptor filtering and correlation analysis for robust and reproducible modeling. alvaDesc integrates seamlessly with KNIME and Python, enabling efficient connection to external data analysis and machine learning workflows. It is widely used in academic and industrial research and supported by extensive documentation and scientific publications. -
34
ChemCopilot
ChemCopilot
ChemCopilot is an AI-native chemical formulation and product lifecycle management platform designed to transform how scientists, engineers, and R&D teams design, test, optimize, and manage chemical products and processes by combining advanced artificial intelligence with domain-specific chemistry knowledge, regulatory data, simulation capabilities, and real-time insights. It automates validation of product labels, ingredient restrictions, and safety data sheets against global compliance frameworks, eliminating disconnected spreadsheets and manual review while providing audit trails and real-time alerts to support regulatory adherence. ChemCopilot accelerates innovation by simulating chemical reactions, molecular interactions, and process workflows to predict formulation performance and outcomes that traditional general-purpose tools cannot provide, and it integrates real-time data from laboratory and industrial systems to drive data-driven decisions. -
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Ansys Rocky
Ansys
Ansys Rocky is a particle dynamics simulation software that uses the discrete element method (DEM) to model and analyze the behavior of granular materials and particle flows. The platform enables engineers to simulate realistic particle shapes, including non-spherical particles, fibers, shells, and complex material interactions. Ansys Rocky leverages multi-GPU processing technology to accelerate large-scale simulations while maintaining high levels of accuracy. The software includes advanced capabilities such as wear prediction, particle breakage modeling, cohesion analysis, CFD coupling, FEA coupling, and multibody dynamics simulation. Engineers can use the platform to study particle movement, material handling, mixing, separation, and equipment performance across a wide range of industries. -
36
ESMFold2
Biohub
ESMFold2 is the successor to ESMFold, setting a new state of the art for single-sequence structure prediction and enabling the generation of new functional proteins through searching the ESMC model’s latent space. The model predicts high-resolution, all-atom 3D structures of biomolecular complexes directly from sequence, with optional multiple sequence alignment input for enhanced accuracy on challenging targets. It is designed for structure prediction using sequence and structure modalities, with ESM representations powering a series of looped folding layers and a diffusion model projecting pairwise representations to atomic-resolution predictions. ESMFold2 predicts protein structures directly from amino acid sequences and outputs comprehensive structural information, including all-atom coordinates for backbone and side chains, confidence metrics, and optional distogram predictions for detailed structural analysis.Starting Price: Free -
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AQBioSim
SandboxAQ
AQBioSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQBioSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQBioSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQBioSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
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AQChemSim
SandboxAQ
AQChemSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQChemSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQChemSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
39
Aspherix
DCS Computing
Aspherix is a state-of-the-art Discrete Element Method platform designed to simulate particle behavior in diverse systems and provide high-precision process modeling for industrial and research applications. It offers comprehensive DEM simulation tools for analyzing granular materials, powders, bulk solids, cohesive particles, polydisperse materials, and particle interactions across a wide range of environments and processes. Aspherix gives users strong control over simulation data, integrates information from multiple sources, and supports seamless analysis across varied formats, helping teams optimize operations and drive product innovation through data-driven simulation. With user-friendly dashboards and real-time analytics, the platform helps engineers move from complex particle behavior to fast, actionable insights. -
40
Samadii Multiphysics
Metariver Technology Co.,Ltd
Metariver Technology Co., Ltd. is developing innovative and creative computer-aided engineering (CAE) analysis S/W based on the latest HPC technology and S/W technology including CUDA technology. We will change the paradigm of CAE technology by applying particle-based CAE technology and high-speed computation technology using GPUs to CAE analysis software. Here is an introduction to our products. 1. Samadii-DEM (the discrete element method): works with the discrete element method and solid particles. 2. Samadii-SCIV (Statistical Contact In Vacuum): working with high vacuum system gas-flow simulation. Using Monte Carlo simulation. 3. Samadii-EM (Electromagnetics): For full-field interpretation 4. Samadii-Plasma: Plasma simulation for Analysis of ion and electron behavior in an electromagnetic field. 5. Vampire (Virtual Additive Manufacturing System): Specializes in transient heat transfer analysis. additive manufacturing and 3D printing simulation software -
41
RecurDyn
FunctionBay
RecurDyn is an interdisciplinary computer-aided engineering software package whose primary function is the simulation of Multi-Body Dynamics. It simulates both rigid and flexible body dynamics by combining traditional rigid multibody dynamics with cutting-edge finite element technology for modeling flexible bodies, known as Multi Flexible Body Dynamics. RecurDyn is designed to analyze the dynamic behavior of mechanical systems in motion, including systems with joints, constraints, contact, flexible components, forces, and complex interactions between parts. Its solver technology handles the differential algebraic equations that describe multibody systems, combining equations of motion with algebraic equations for joint constraints. It provides a robust MBD-specialized modeling environment, fast solvers, extensive post-processing, animation, plotting, and tools for evaluating the motion, loads, stresses, deformation, and performance of mechanical assemblies. -
42
iGRAF
iGRAF
iGRAF is an integrated powder and multiphase flow simulation tool that seamlessly merges the domains of powder and fluid simulation. It is designed as a one-stop solution for replicating a wide variety of powder behaviors and redefining standards in simulation technology. iGRAF’s integrated DEM-CFD solver enables accurate and efficient analysis of single-phase and multiphase flow, helping users understand particle-fluid interactions in one platform. Its dynamic geometry control supports translations, rotations, vibrations, and user-defined motion, allowing teams to precisely capture the dynamics of complex systems. It includes validated liquid bridging models and van der Waals forces to analyze the influence of moisture and adhesion on particle behavior, with its liquid bridge force model extensively validated up to 15% moisture content. iGRAF also combines the Signed Distance Function and Immersed Boundary Method to recognize arbitrary solid geometries. -
43
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. -
44
Yade
Yade
Yade is an extensible open source framework for discrete numerical models, focused on the Discrete Element Method. Its computation parts are written in C++ using a flexible object model that allows independent implementation of new algorithms and interfaces, while Python is used for rapid and concise scene construction, simulation control, postprocessing, and debugging. Yade is designed for researchers and engineers who need to create, run, inspect, modify, and extend particle-based simulations through scripts, interactive commands, graphical tools, and reusable simulation components. Simulations can be built from specialized generators or constructed directly with Python scripts, giving users flexibility for developing custom models, importing geometries, reusing code, and controlling the full simulation loop. It represents each simulation as a scene containing bodies, interactions, and resultant forces, with bodies defined by geometry, material properties, state variables, etc.Starting Price: Free -
45
COMSOL Multiphysics
Comsol Group
Simulate real-world designs, devices, and processes with multiphysics software from COMSOL. General-purpose simulation software based on advanced numerical methods. Fully coupled multiphysics and single-physics modeling capabilities. Complete modeling workflow, from geometry to postprocessing. User-friendly tools for building and deploying simulation apps. The COMSOL Multiphysics® software brings a user interface and experience that is always the same, regardless of engineering application and physics phenomena. Add-on modules provide specialized functionality for electromagnetics, structural mechanics, acoustics, fluid flow, heat transfer, and chemical engineering. Choose from a list of LiveLink™ products to interface directly with CAD and other third-party software. Deploy simulation applications with COMSOL Compiler™ and COMSOL Server™. Create physics-based models and simulation applications with this software platform. -
46
CryoTrack
CryoTrack
CryoTrackIMS is a complete software package - ideal for molecular biology, cell banks, cellular biology, clinical samples, biorepository, biobanking, biochemistry, immunology and protein labs, high-throughput screening, QA, IVF labs and core labs and facilities. Create any box, plate or pie configuration - select rows and columns or select a Pie configuration - your box is created in seconds ready to input data. Inventory of valuable biological samples and specimen is critical for basic research and biotech business. Keeping track of large numbers and types of samples (DNA, RNA, plasmids, clones, proteins, peptides, probes, antibodies, enzymes, specimen, tissues, cell lines and more) and where they are and their precise location is a nightmare and daunting task for many that cost a great deal not only in monetary terms but also leads to frustrations and time loss. CryoTrack offers a complete solution for individual labs in universities, clinics, biotech and pharmaceutical companies. -
47
Particleworks
Prometech Software
Particleworks is particle-based CAE and CFD software for simulating liquid and multiphase flows using the Moving Particle Simulation method. Its mesh-less solver and intuitive interface make the simulation process simple and fast, even for complex geometries with moving parts such as transmissions, electric motors, internal combustion engines, and other industrial systems. Unlike conventional mesh-based CFD, Particleworks discretizes the fluid domain automatically with particles, eliminating complex mesh generation and making it easier to analyze free-surface flow, splashing, sloshing, spraying, mixing, lubrication, cooling, oil behavior, water interaction, and highly viscous fluids. It provides one-stop GUI operation from pre-processing through post-processing, helping engineers set up models, run simulations, visualize results, and evaluate performance in a streamlined workflow. -
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Simcenter EDEM
Siemens
Simcenter EDEM is a high-performance Discrete Element Method tool for bulk material and particle simulation, designed to give engineers crucial insight into how granular materials interact with handling equipment across a range of operating and process conditions. It accurately simulates and analyzes the behavior of coal, ores, soils, fibers, grains, tablets, powders, rocks, crops, and other real-world materials. Users can get started quickly with extensive pre-calibrated material model libraries representing rocks, ores, soils, and powders, while validated physics models support dry, sticky, compressible, and more complex material behaviors. Simcenter EDEM can simulate complex, industry-scale particle systems involving many millions of particles with fast and scalable compute performance across CPU, GPU, and multi-GPU solvers. -
49
GPUonCLOUD
GPUonCLOUD
Traditionally, deep learning, 3D modeling, simulations, distributed analytics, and molecular modeling take days or weeks time. However, with GPUonCLOUD’s dedicated GPU servers, it's a matter of hours. You may want to opt for pre-configured systems or pre-built instances with GPUs featuring deep learning frameworks like TensorFlow, PyTorch, MXNet, TensorRT, libraries e.g. real-time computer vision library OpenCV, thereby accelerating your AI/ML model-building experience. Among the wide variety of GPUs available to us, some of the GPU servers are best fit for graphics workstations and multi-player accelerated gaming. Instant jumpstart frameworks increase the speed and agility of the AI/ML environment with effective and efficient environment lifecycle management.Starting Price: $1 per hour -
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AWS Thinkbox Stoke
Amazon
Create particle simulations faster for Autodesk 3ds Max compared to competing fluid dynamics plugins. Allow artists without programming or scripting experience to easily use an extensible procedural geometry modifier. Give users access to artist-friendly channel-editing workflows similar to node-based image-compositing applications. Access-optimized geometry and particle lookup operations are not available in the Autodesk 3ds Max SDK. AWS Thinkbox Stoke simplifies and accelerates the creation of high-volume particle clouds. Enable formats, such as PRT and RealFlow BIN, and simulations from FumeFX, Particle Flow, cebas thinkingParticles, and 3ds Max Force Space Warps. Create and simulate new fields, including velocity fields, and the loading and saving of field data using industry-standard formats. Combine field data with 3ds Max subsystems, such as Particle Flow, MassFX, Hair and Fur, Materials, most renderers, and other systems.
