Alternatives to InQuanto
Compare InQuanto alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to InQuanto in 2024. Compare features, ratings, user reviews, pricing, and more from InQuanto 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. -
2
FindMolecule
FindMolecule
FindMolecule is an innovative online inventory and ELN platform for chemists and biologists. It is used in labs all around the world to improve their efficiency. Great for structure searches, barcode scanning, health & safety, orders management and much more. The electronic lab notebook is the most intuitive on the market. Our inventory management software and our ELN are very intuitive. FindMolecule is built to satisfy the requirements of the most security-sensitive organizations. Link your inventory to your electronic lab notebook in one click! Use our innovative drawing application to search your products by structure. No more excel files is requiered! Reduce errors and eliminate waste time of manual recordkeeping using barcodes. Use our chemical inventory management system and facilitate your work with our advanced features: the multiscan module, the structure and substructure search, the “Order” section including an impressive database. -
3
TensorFlow
TensorFlow
An end-to-end open source machine learning platform. TensorFlow is an end-to-end open source platform for machine learning. It has a comprehensive, flexible ecosystem of tools, libraries and community resources that lets researchers push the state-of-the-art in ML and developers easily build and deploy ML powered applications. Build and train ML models easily using intuitive high-level APIs like Keras with eager execution, which makes for immediate model iteration and easy debugging. Easily train and deploy models in the cloud, on-prem, in the browser, or on-device no matter what language you use. A simple and flexible architecture to take new ideas from concept to code, to state-of-the-art models, and to publication faster. Build, deploy, and experiment easily with TensorFlow.Starting Price: Free -
4
Azure Quantum
Microsoft
Use state-of-the-art cloud tools and learning resources to help you build and refine quantum algorithms. Gain access to a diverse portfolio of today’s quantum hardware. Access a diverse portfolio of today’s quantum hardware to build toward the emergence of fault-tolerant quantum systems. Navigate complexity and develop new skills with world-class onboarding and education resources including Microsoft Learn, Quantum katas tutorials, industry case studies, and a university curriculum. Use the Azure Quantum resource estimator tool to estimate the number of logical and physical qubits and runtime required to execute quantum applications on future-scaled quantum computers. Determine the number of qubits needed for a quantum solution and evaluate the differences across qubit technologies. Prepare and refine quantum solutions to run on future-scaled quantum machines. -
5
QX Simulator
Quantum Computing Simulation
The realization of large-scale physical quantum computers appears to be challenging, alongside the efforts to design quantum computers, significant efforts are focusing on the development of useful quantum algorithms. In the absence of a large physical quantum computer, an accurate software simulation of quantum computers on a classical computer is required to simulate the execution of those quantum algorithms and to study the behavior of a quantum computer and improve its design. Besides simulating error-free execution quantum circuits on a perfect quantum computer, the QX simulator can simulate realistic noisy execution using different error models such as the depolarizing noise. The user can activate the error model and define a physical error probability to simulate a specific target quantum computer. This error rate can be defined based on the gate fidelity and the qubit decoherence of the target platform. -
6
Superstaq
Infleqtion
Superstaq’s low-level, device-specific optimizations enable users to draw the best performance out of today's hardware across multiple qubit modalities. Qiskit and Cirq open source frontends allow users to submit to leading quantum hardware platforms from IBM, Infleqtion, OQC, Rigetti, and more. Leverage our pre-built library of quantum applications to benchmark the performance on otherwise "impossible" problems with quantum hardware. Superstaq's library of sophisticated compilation and noise mitigation techniques, such as dynamical decoupling, automatically optimizes quantum programs based on the target hardware's native gate set. Whether it's Cirq or Qiskit, Superstaq enables you to write quantum programs that target virtually any quantum computer. -
7
LIQUi|>
Microsoft
LIQUi|> is a software architecture and tool suite for quantum computing. It includes a programming language, optimization and scheduling algorithms, and quantum simulators. LIQUi|> can be used to translate a quantum algorithm written in the form of a high-level program into the low-level machine instructions for a quantum device. LIQUi|> is being developed by the quantum architectures and computation Group (QuArC) at Microsoft Research. To aid in the development and understanding of quantum protocols, quantum algorithms, quantum error correction, and quantum devices, QuArC has developed an extensive software platform called LIQUi|>. LIQUi|> allows the simulation of Hamiltonians, quantum circuits, quantum stabilizer circuits, and quantum noise models, and supports client, service, and cloud operation. -
8
QANplatform
QANplatform
Developers and enterprises can build Quantum-resistant smart-contracts, DApps, DeFi solutions, NFTs, tokens, Metaverse on top of the QAN blockchain platform in any programming language. QANplatform is the first Hyperpolyglot Smart Contract platform where developers can code in any programming language and also get rewarded for writing high-quality code reusable by others. The Quantum threat is very real. Existing chains can not defend against it. QAN is resistant against it from ground up, your future funds are safe. Quantum-resistant algorithms — also known as post-quantum, quantum-secure, or quantum-safe — are cryptographic algorithms that can fend off attacks from quantum computers. Quantum-resistant algorithms — also known as post-quantum, quantum-secure, or quantum-safe — are cryptographic algorithms that can fend off attacks from quantum computers. -
9
Quandela
Quandela
Quandela Cloud offers a wide range of functionalities. First, intensive documentation is available to walk you through Perceval, our photonic quantum computing framework. Perceval's programming language is Python, thus coding on Quandela’s QPUs is seamless. Moreover, you can leverage a wide range of unique algorithms already implemented (resolving PDEs, clustering data, generating certified random numbers, solving logistical problems, computing properties of molecules, and much more). Then, the status and specifications of Quandela’s QPUs are displayed. You can choose the appropriate one, run your job and check its evolution on the job monitoring interface. -
10
D-Wave
D-Wave
Our singular focus is to help customers achieve real value by using quantum computing for practical business applications. You may be surprised to learn that our enterprise customers have already built hundreds of quantum applications across many industries. The powerful combination of the Advantage™ quantum system and the Leap™ hybrid solver services enable the first in-production quantum applications demonstrating business benefit. D-Wave is the practical quantum computing company delivering real business value for manufacturing, supply chain and logistics, scheduling, and mobility applications today. Quantum computing is already helping to optimize many key parts of the value chain in Industry 4.0. -
11
IBM Quantum
IBM
Use our suite of applications to support your quantum research and development needs. Copy your API token, track jobs, and view quantum compute resources. Explore service and API documentation to start working with IBM Quantum resources. -
12
Google Cirq
Google
Cirq is a Python software library for writing, manipulating, and optimizing quantum circuits, and then running them on quantum computers and quantum simulators. Cirq provides useful abstractions for dealing with today’s noisy intermediate-scale quantum computers, where details of the hardware are vital to achieving state-of-the-art results. Cirq comes with built-in simulators, both for wave functions and for density matrices. These can handle noisy quantum channels using monte carlo or full density matrix simulations. In addition, Cirq works with a state-of-the-art wavefunction simulator: qsim. These simulators can be used to mock quantum hardware with the quantum virtual machine. Cirq is used to run experiments on Google's quantum processors. Learn more about the latest experiments and access the code to se how to run them yourself. -
13
Quantum Inspire
QuTech
Run your own quantum algorithms on one of our simulators or hardware backends and experience the possibilities of quantum computing. Note that Spin-2 is currently being upgraded and is no longer available. We have multiple simulators and real hardware chips available. Find out what they can do for you. Quantum Inspire is built using first-rate engineering practices. Starting from experimental setups, a layered and modular system was designed to end up with a solid and robust hardware system. This quantum computer consists of a number of layers including quantum chip hardware, classical control electronics, a quantum compiler, and a software front-end with a cloud-accessible web interface. They can act as technology accelerators because only through careful analysis of the individual system layers and their interdependencies it become possible to detect the gaps and necessary next steps in the innovation roadmap and supply chain. -
14
Silq
Silq
Silq is a new high-level programming language for quantum computing with a strong static type system, developed at ETH Zürich. Silq was originally published at PLDI'20. -
15
QC Ware Forge
QC Ware
Unique and efficient turn-key algorithms for data scientists. Powerful circuit building blocks for quantum engineers. Turn-key algorithm implementations for data scientists, financial analysts, and engineers. Explore problems in binary optimization, machine learning, linear algebra, and monte carlo sampling on simulators and real quantum hardware. No prior experience with quantum computing is required. Use NISQ data loader circuits to load classical data into quantum states to use with your algorithms. Use circuit building blocks for linear algebra with distance estimation and matrix multiplication circuits. Use our circuit building blocks to create your own algorithms. Get a significant performance boost for D-Wave hardware and use the latest improvements for gate-based approaches. Try out quantum data loaders and algorithms with guaranteed speed-ups on clustering, classification, and regression.Starting Price: $2,500 per hour -
16
Quantum Origin
Quantinuum
Experience the world’s only quantum-computing-hardened encryption keys, ensuring provably superior protection and allowing you to seamlessly strengthen your existing cybersecurity systems for enhanced security today, and into the future. Every organization owns sensitive data that must be kept secret at all costs. Quantum Origin adds unmatched cryptographic strength to existing cybersecurity systems, giving your enterprise a long-term edge against cyber criminals. Maintaining the trust of customers, shareholders, and regulators means adapting and strengthening your cybersecurity foundations. Adopting Quantum Origin showcases your commitment to staying ahead of potential threats. Quantum Origin verifiably strengthens the cryptographic protection around your technology and services, proving you take the privacy and security of your customer's data as seriously as they do. Let your customers know their data is safe with the ultimate in cryptographic protection. -
17
xx network
xx network
Introducing the xx network, the first and only quantum-resistant and privacy-focused blockchain ecosystem. Now offering the ultra-secure messaging application, xx messenger. Start using the blockchain of the future, the only Layer One protocol protected against quantum computing attacks. Introducing the first and only messenger app that truly protects communication between sender and receiver. All messages are end-to-end encrypted, and no metadata is ever collected. Powered by the xx network. A new easy-to-use digital currency. Designed to be the most secure and usable digital currency available today. xx messenger keeps all user activity private. No tracking, no profiling, and no surveillance. With end-to-end encryption, of course. Introducing xx messenger. Imagine a world where no one, no one, can read your messages and sell your data. Low-cost, quantum-ready, and metadata-protected. A next-gen currency to protect against next-gen threats. -
18
Cellframe
Cellframe
Cellframe Network is a scalable open-source next generation platform for building and bridging blockchains and services secured by post-quantum encryption. We offer a stage for enterprises and developers for building a vast array of products ranging from simple low-level t-dApps to whole other blockchains on top of Cellframe Network. We believe that the next paradigm for blockchain technology is mass adoption and our platform strives to expand the use cases associated with blockchain technology. Cellframe can provide extremely high transaction throughput based on the original sharding implementation. In addition, Post-quantum cryptography makes the system resistant to hacking by quantum computers, which are not far off. Based on the original sharding implementation, Cellframe can provide extremely high transaction throughput. -
19
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. -
20
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. -
21
Oxford Quantum Circuits (OQC)
Oxford Quantum Circuits
OQC’s quantum computer is a complete functional unit, including the control system, the hardware and the software. It is the only quantum computer commercially available in the UK. OQC’s Quantum Computing-as-a-Service (QCaaS) platform takes our proprietary quantum technology to the wider market through a private cloud. Register your interest to access our QCaaS. Thanks to a close cooperation with world-leading technical and strategic partners, we ensure that our technology is at the heart of the quantum revolution. -
22
Quantum Programming Studio
Quantum Programming Studio
Circuit can be exported to multiple quantum programming languages/frameworks and can be executed on various simulators and quantum computers. You can use simple drag & drop user interface to assemble circuit diagram which automatically translates to code, and vice versa - you can type the code and the diagram is updated accordingly. QPS Client is running on your local machine (or in the cloud) where your quantum programming environment is installed. It opens a secure websocket connection with Quantum Programming Studio server and executes quantum circuits (that you design in the web UI) on your local simulator or on a real quantum computer. -
23
Rigetti Quantum Cloud Services (QCS)
Rigetti Computing
We make it possible for everyone to think bigger, create faster, and see further. By infusing AI and machine learning, our quantum solutions give you the power to solve the world’s most important and pressing problems. Thermodynamics sparked the Industrial revolution. Electromagnetism ushered in the information age, now, quantum computers are harnessing the unique information processing capability of quantum mechanics to exponentially reduce the time and energy needed for high-impact computing. With the first paradigm-shifting advance since the integrated circuit, quantum computing is poised to transform every global market. The gap between first movers and fast followers will be difficult to overcome. -
24
Bayesforge
Quantum Programming Studio
Bayesforge™ is a Linux machine image that curates the very best open source software for the data scientist who needs advanced analytical tools, as well as for quantum computing and computational mathematics practitioners who seek to work with one of the major QC frameworks. The image combines common machine learning frameworks, such as PyTorch and TensorFlow, with open source software from D-Wave, Rigetti as well as the IBM Quantum Experience and Google's new quantum computing language Cirq, as well as other advanced QC frameworks. For instance our quantum fog modeling framework, and our quantum compiler Qubiter which can cross-compile to all major architectures. All software is made accessible through the Jupyter WebUI which, due to its modular architecture, allows the user to code in Python, R, and Octave. -
25
Qiskit
Qiskit
Qiskit includes a comprehensive set of quantum gates and a variety of pre-built circuits so users at all levels can use Qiskit for research and application development. The transpiler translates Qiskit code into an optimized circuit using a backend’s native gate set, allowing users to program for any quantum processor. Users can transpile with Qiskit's default optimization, use a custom configuration or develop their own plugin. Qiskit helps users schedule and run quantum programs on a variety of local simulators and cloud-based quantum processors. It supports several quantum hardware designs, such as superconducting qubits and trapped ions. Ready to explore Qiskit’s capabilities for yourself? Learn how to run Qiskit in the cloud or your local Python environment. -
26
BQSKit
Berkeley Lab
BQSKit stands on its own as an end-to-end compiling solution by combining state-of-the-art partitioning, synthesis, and instantiation algorithms. The framework is built in an easy-to-access and quick-to-extend fashion, allowing users to best tailor a workflow to suit their specific domain. Global circuit optimization is the process of taking a quantum program, given as a quantum circuit, and reducing (optimizing) its depth. The depth of a quantum circuit is directly related to the program’s runtime and the probability of error in the final result. BQSKit uses a unique strategy that combines circuit partitioning, synthesis, and instantiation to optimize circuits far beyond what traditional optimizing compilers can do. -
27
Torx
Cresset Group
Make better design decisions and track compound synthesis from start to finish with ease. Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze that work in synergy to deliver a complete discovery cycle platform. Design molecules faster, capture and share knowledge, and manage resources with ease. Collaborative team working and information delivery for all roles in the DMTA cycle. However you refer to it, 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze', all small molecule chemistry teams go through a common process: design molecules, make or synthesize compounds, then test and analyze the results before the next iteration; it’s the mantra of chemistry teams all over the world. -
28
NobleAI
NobleAI
NobleAI enables companies to accelerate the development of better-performing, more environmentally sustainable, and reliably sourced chemical & material products. At NobleAI, we believe that materials science and chemistry are key to building a sustainable world and that AI is essential to unlock this potential. NobleAI’s science-based AI is a powerful fusion of novel artificial intelligence techniques and all available scientific knowledge, optimized for product development. This combination of data-driven insights and scientifically guided design delivers much higher levels of accuracy with far less data and training time. This delivers deeper insights while exhibiting greater transparency, interpretability, and scientific fidelity. -
29
Covalent
Agnostiq
Covalent’s serverless HPC architecture allows you to easily scale jobs from your laptop to your HPC/Cloud. Covalent is a Pythonic workflow tool for computational scientists, AI/ML software engineers, and anyone who needs to run experiments on limited or expensive computing resources including quantum computers, HPC clusters, GPU arrays, and cloud services. Covalent enables a researcher to run computation tasks on an advanced hardware platform – such as a quantum computer or serverless HPC cluster – using a single line of code. The latest release of Covalent includes two new feature sets and three major enhancements. True to its modular nature, Covalent now allows users to define custom pre- and post-hooks to electrons to facilitate various use cases from setting up remote environments (using DepsPip) to running custom functions.Starting Price: Free -
30
Neuri
Neuri
We conduct and implement cutting-edge research on artificial intelligence to create real advantage in financial investment. Illuminating the financial market with ground-breaking neuro-prediction. We combine novel deep reinforcement learning algorithms and graph-based learning with artificial neural networks for modeling and predicting time series. Neuri strives to generate synthetic data emulating the global financial markets, testing it with complex simulations of trading behavior. We bet on the future of quantum optimization in enabling our simulations to surpass the limits of classical supercomputing. Financial markets are highly fluid, with dynamics evolving over time. As such we build AI algorithms that adapt and learn continuously, in order to uncover the connections between different financial assets, classes and markets. The application of neuroscience-inspired models, quantum algorithms and machine learning to systematic trading at this point is underexplored. -
31
Polymerize
Polymerize
Use our proprietary machine learning algorithms and APIs to predict experiment results, material properties, and manage all your data in one place. Let your data accelerate your research. Built to accelerate research and scale with you. Polymerize’s mission is to accelerate the development of high-performing materials. We do this by providing a comprehensive informatics platform to guide your R&D on the right path. Upload historical data and past experiments. Get predictions on material properties and formulations. Evaluate your results and personalize the algorithm. Manage all your data in a single connected workspace. Discover more insights from all your data. Propagate innovation across the organization with just one platform. Drive innovation for everyone using a single, unified workspace. Drive research forward together and eliminate silos. Manage and forecast with confidence. Propagate innovation across one platform. -
32
Intel Quantum Simulator
Intel Quantum Simulator
It is based on a complete representation of the qubit state but avoids the explicit representation of gates and other quantum operations in terms of matrices. Intel-QS uses the MPI (message-passing-interface) protocol to handle communication between the distributed resources used to store and manipulate quantum states. Intel-QS builds as a shared library which, once linked to the application program, allows to take advantage of the high-performance implementation of circuit simulations. The library can be built on a variety of different systems, from laptops to HPC server systems. -
33
QuEST
QuEST
The Quantum exact simulation toolkit is a high-performance simulator of quantum circuits, state-vectors and density matrices. QuEST uses multithreading, GPU acceleration and distribution to run lightning first on laptops, desktops and networked supercomputers. QuEST just works; it is stand-alone, requires no installation, and is trivial to compile and get running. QuEST has no setup; it can be downloaded, compiled and run in a matter of seconds. QuEST has no external dependencies and compiles natively on Windows, Linux and MacOS. Whether on a laptop, a desktop, a supercomputer, a microcontroller, or in the cloud, you can almost always get QuEST running with only a few terminal commands. -
34
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. -
35
InfoChem
DeepMatter
As part of the DeepMatter Group we continue to supply our platforms for Synthesis & Reaction Prediction, Information Extraction and Cheminformatics as well as DigitalGlassware®, the innovative cloud-based digital chemistry platform from DeepMatter™, that brings recordability, reproducibility and shareability to your lab at every stage of the discovery process, from planning your reaction to analyzing the outcome. We continue to work side-by-side with our clients and users developing cutting-edge software solutions to boost chemical research and inspire scientific workflows. DeepMatter has a differentiated portfolio of products that accelerate and optimize the hypothesis, design, and synthesis process. These products enable new compounds such as pharmaceuticals, agrichemicals, and performance chemicals to get to market faster.DigitalGlassware transforms your chemistry into code to improve your productivity in your laboratory. -
36
Ansys Chemkin-Pro
Ansys
Ansys Chemkin-Pro is the industry leader for modeling complex, chemically reacting systems. It has been extensively validated in numerous chemistry applications and is well known for its extremely fast simulation time. Today’s energy standards call for high yields, efficiency and quality with minimal byproduct or waste. Ansys Chemkin-Pro is a chemical kinetics simulator that models idealized reacting flows and provides insight into results before production testing. Relying on testing alone for verifying chemical processes is prohibitive, given today’s shortened design cycles. Effective simulation is critical for cost-effective designs and gets your product to market faster. Mitsuo Koshi is a world-renowned chemical kineticist who also happens to be an avid fireworks fan. He is responsible for judging prestigious fireworks competitions across Japan. Every year, firework displays become grander and more fantastic, but this is paired with increased emissions. -
37
iChemistry
Intersolia
Since 1999, we’ve been providing our customers with the market’s most complete chemical management solution, developed in collaboration with our customers and our market-leading experts. iChemistry is our cloud-based solution for the end users in the chemical management supply chain. Our software helps you manage environmental, health, and safety performance, ensure compliance, minimize risk, and improve profitability. Create and distribute safety sheets so that you can identify risks, prevent accidents, and reduce workplace hazards. Comply with government requirements such as REACH or GHS. Become more sustainable by working proactively to reduce hazardous chemicals. Increase efficiency and control, so that you can free up more time and resources. With iChemistry, you also get access to our integrated SDS service that has one of Europe’s largest databases for safety data sheets. All of our SDS are digitized, which means that you get instant access to all essential information.Starting Price: Free -
38
SciveraLENS
Scivera
Screen formulations for sourcing and product development. Use our 23 toxicological endpoint system to proactively identify potential issues and find safer alternatives. Understand your company’s chemical footprint. Manage compliance and certification requirements automatically. Simplify data gathering, list-screening, and chemical hazard assessments with an easy-to-understand interface. Benefit from the world’s largest Safer Chemistry Knowledge Base with more than 4,000 Verified Chemical Hazard Assessments from Scivera’s board-certified toxicologists. Build a configurable plan to fit your needs and budget. Whether you’re a supplier or a brand, feel confident submitting or receiving chemical reports with redacted information that protects intellectual property while providing necessary chemical safety information. -
39
Materials Zone
Materials Zone
From materials data to better products, faster! Accelerates R&D, scale-up, and optimizes manufacturing QC and supply chain decisions. Discover new materials, use ML guidance to forecast outcomes, and achieve faster and improved results. Build a model on your way to production. Test the model's limits behind your products to design cost-efficient and robust production lines. Use models to predict future failures based on supplied materials informatics and production line parameters. The Materials Zone platform aggregates data from independent entities, materials providers, factories, or manufacturing facilities, communicating between them through a secured platform. By using machine learning (ML) algorithms on your experimental data, you can discover new materials with desired properties, generate ‘recipes’ for materials synthesis, build tools to analyze unique measurements automatically, and retrieve insights. -
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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. -
41
BIOVIA CISPro
Dassault Systèmes
BIOVIA CISPro enables organizations to maintain a listing of all the chemicals and materials in each facility at the container level, keep track of where they are in real-time and monitor usage. An unlimited number of material classes can be tracked, including reference standards, with multiple security layers. Inventories for individual business units can be maintained independently, yet managed collectively under the same company account. CISPro delivers all the necessary tools to accurately track and report chemicals and supplies including controlled substances while meeting safety and regulatory requirements, including barcode labeling, remote inventory control and Safety Data Sheet (SDS) management. Reports are easy to generate, allowing chemicals to be listed by location, vendor, name, CAS#, formula, etc. Most importantly, hazard information is always easy to access during an emergency. -
42
Toxnot
Toxnot
Generate compliance & sustainability reports using accurate materials data maintained by suppliers. Be prepared for unpredictable evolving global regulations. Improve product transparency with full material disclosure. Manage your circular products for end of life & takeback. Turn supply chain complexity into customer ready communications. Leverage Toxnot's supplier ecosystem to find or request data of your products. Easily integrate supply chain data to analyze your product portfolio. Quickly and efficiently respond to customer data requests. Easily integrate & manage all your supply chain data across every product in your company. Save time spent on managing your product compliance. Visualize data and configure any regulations you need when managing your products. With Toxnot you're able to unify all your product compliance data across your supply chain on one platform.Starting Price: $600 per month -
43
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. -
44
Metso Outotec HSC Chemistry
Metso Outotec
Essential software toolkit for mineral processing professionals for process research, development, and analysis. Carry out thermodynamic and mineral processing calculations on a standard computer quickly and easily. Essential software toolkit for process research, development, design, and digitalization, as well as for estimating process efficiencies, yields, and environmental footprints. Visit our web site for further details.Starting Price: 500 EUR per year -
45
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. -
46
EUPHOR
EUPHOR
EUPHOR is a compliance management solution designed specifically for chemical companies working to meet the deadline for global regulations such as REACH 2018. EUPHOR offers an automatic alert system, secure data storage and sharing, an easy-to-use dashboard interface, and practical tools for project management and collaboration. Available in both web-based and on-premise versions, EUPHOR is designed to streamline, manage, and track REACH compliance projects. However, it will also work for chemical regulation compliance in general. This robust compliance project management solution will be your go-to tool for all compliance program management. Chemical regulations around the world are becoming more demanding. EUPHOR can help you achieve compliance. EUPHOR handles REACH and similar compliance project management and makes it easy to collaborate and track progress toward chemical regulations compliance. Some regulatory compliance software just provides information. -
47
ChemInventory
Antipodes Scientific
ChemInventory helps you organize your laboratory's chemical stock, cutting the time spent by your group members searching for compounds, and letting them get on with their work. ChemInventory is secure, cloud-based software that allows you to manage the chemical containers in your laboratory. You and your research group members can search instantly for compounds by name, CAS registry number, structure or any number of your own custom fields. Chemical structures are presented alongside other relevant information in search results. ChemInventory can be accessed from any device - including PCs and Macs. You no longer need to have your inventory tied to a single computer. All data stored on our servers is encrypted using the industry standard AES-256 algorithm. To protect against data loss, we backup our databases daily. Unique barcodes can be assigned to each container, enabling simple and fast stocktaking procedures with a barcode scanner.Starting Price: $56 per year -
48
CAQ.Net
CAQ AG Factory Systems
CAQ AG Factory Systems has established itself as one of the worldwide leading providers of quality management software. We have over 30 years of experience in the development and distribution of modular, multilingual, and industry-specific management solutions for small and medium-sized enterprises as well as multinational corporations. Our CAQ.Net software suite covers every aspect of computer aided quality assurance and was designed with the highest degrees of adaptability and customizability in mind. Just like a construction kit, our system allows you to pick the most suitable building blocks and thereby create the perfect solution to your individual quality management demands. -
49
ProSimPlus
ProSim
ProSimPlus is a chemical process simulation software very intuitive and easy to use, so users adopt it very quickly. The software is a solution that is widely used by the world’s leading oil, gas, chemicals, energy or bio-based industry companies. ProSim offers process simulation software and services that allow industries to improve their operations, increase their profitability or reduce their environmental impact. For more than 30 years ProSim has been designing and developing process simulation and optimization software in the oil, gas, chemical, pharmaceutical, energy and other process industries. ProSim is today at the heart of two challenges that the industry must face to remain competitive: the digital transition and the energy transition. ProSim stands out thanks to the ease of use of its software, the responsiveness of its support team. -
50
SandboxAQ
SandboxAQ
The emergence of large, fault-tolerant quantum computers poses a significant threat to current public-key cryptography, leaving sensitive data and systems vulnerable to attacks. SandboxAQ was selected by the NIST's National Cybersecurity Center of Excellence for its Migration to Post-Quantum Cryptography project, which partners with industry to help the government develop best practices to transition from current public-key cryptography to post-quantum cryptography algorithms. Easily adhere to new cryptographic requirements and switch between them without requiring additional development or maintenance. Application Analyzer detects and records all calls to cryptographic libraries made by an application at run time, identifying vulnerabilities and policy breaches.