Compare the Top Chemical Software for Linux as of October 2025

What is Chemical Software for Linux?

Chemical software is designed to manage, track, and analyze chemical inventories, processes, and safety data within various industries. It allows users to monitor chemical quantities, storage conditions, hazard classifications, and regulatory compliance in real-time, ensuring safe and efficient handling. With integrated features like Material Safety Data Sheets (MSDS) and automated compliance checks, the software helps organizations meet regulatory standards and reduce risks. It streamlines data entry, automates alerts for stock or safety issues, and supports complex chemical analyses and modeling. Chemical software is essential in fields such as pharmaceuticals, manufacturing, research, and education, where precise chemical management is critical for both safety and operational success. Compare and read user reviews of the best Chemical software for Linux currently available using the table below. This list is updated regularly.

  • 1
    HSI Donesafe
    Protect your people and simplify chemical management with HSI Donesafe’s Chemical Software. Designed to reduce risks associated with hazardous materials, this software provides instant access to critical safety data, ensures full compliance, and streamlines reporting. Digitize your chemical SDS, keep them in synch with manufacturer updates and keep them in a secure, digital, access-from-anywhere system. Empower teams to take control of chemical safety with tools that enhance visibility, improve workflows, and promote a proactive safety culture. Minimize risks, reduce stress, and feel confident knowing your team is safeguarded at every step of the process, from compliance to response.
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  • 2
    LLumin

    LLumin

    LLumin, Inc.

    LLumin's CMMS+ is comprehensive software that efficiently manages your assets, facilities, and maintenance operations. With LLumin's CMMS+, you will streamline maintenance workflows, reduce downtime & increase productivity while saving time and money. Key functionality includes asset management, work order management, preventive maintenance, inventory management, reporting & analytics. These features are designed to streamline maintenance operations & maximize the lifespan of your assets. You will reduce maintenance costs, improve asset performance, and increase uptime. With features such as work order management, preventive maintenance, safety-related maintenance tracking, workflows & real-time alerts, LLumin will ensure your equipment and facilities are maintained to regulatory standards and safety protocols, promoting a safe, efficient working environment. Furthermore, you will be empowered to make informed decisions, optimize resource allocations, and improve overall efficiency.
    Starting Price: $45 per month / user
  • 3
    LabCollector LIMS
    LabCollector Lab Services Manager (LSM) is a cutting-edge network-based software solution that helps core facilities, laboratories, and biotechs. Simple and fully comprehensive, LabCollector LMS helps users manage a variety of useful day-to-day lab information. The solution comes with powerful modules, such as Strains & Cells Module, Plasmids Module, Sequences Module, Antibodies Module, Chemical Structures Module, Reagents & Supplies, Animals Module, Samples Module, Documents Module, Equipment Module, Address Book Module, and so much more.
    Starting Price: $2500.00/one-time/user
  • 4
    CHEMDOX

    CHEMDOX

    CHEMDOX

    CHEMDOX® software supports regulatory experts in all aspects of hazardous materials management: - Chemical Management - Safety Data Sheet (SDS / MSDS) Authoring - Safety Data Sheet (SDS) Translation - Hazard Labeling - GHS Compliance - Safety Data Sheet (SDS) Distribution CHEMDOX® supports high-quality classifications with strong regulatory content and includes classification calculators for all included regulations. With CHEMDOX®, many hazardous materials management processes are automated and performed with database support.
  • 5
    DWSIM

    DWSIM

    DWSIM

    DWSIM is a free and open source CAPE-OPEN compliant chemical process simulator that operates across multiple platforms, including Windows, Linux, macOS, Android, and iOS. It features an intuitive graphical user interface and offers capabilities previously exclusive to commercial simulators. DWSIM supports both steady-state and dynamic simulations, utilizing a parallel modular solver for efficient modeling. It includes advanced property packages. The simulator provides a comprehensive suite of unit operations, including mixers, splitters, separators, pumps, compressors, expanders, heaters, coolers, valves, pipe segments, shortcut columns, heat exchangers, various reactors, distillation and absorption columns, solids separators, cake filters, spreadsheets, Python scripts, and flowsheet unit operations. It also provides an Excel Add-In for performing thermodynamic calculations within spreadsheets and an automation API for creating, loading, modifying, running, and saving flowsheets.
    Starting Price: Free
  • 6
    ComplianceQuest

    ComplianceQuest

    ComplianceQuest

    Fastest growing Enterprise Quality, Health and Safety Management System (QHSE) natively built and run on the Salesforce platform. Unified QHSE solutions, which combine EQMS and EHS, help our customers of all sizes deliver quality products and services in the safest, most sustainable way by mitigating risk, problems, and inefficiencies while protecting customers, employees, suppliers and brand. Every organization – irrespective of its industry, geography or size – involves an interaction of activities and processes with the environment. These activities may have an adverse or favorable impact on the environment depending on the type of activity being carried out. Our Environment Management solution has been designed to minimize and mitigate these adverse impacts on environment, to such an extent that our already depleting biodiversity is protected, and nurture an ecosystem where all living organisms coexist sustainably.
    Starting Price: $30 per user per month
  • 7
    CDD Vault

    CDD Vault

    Collaborative Drug Discovery

    With CDD Vault, you can intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. Start your free trial and see first hand how easy it is to manage drug discovery data. Tailored for you Affordable Scales with your project team(s) Activity & Registration * Electronic Lab Notebook (ELN) * Visualization * Inventory * APIs * Secure Online Hosting
  • 8
    Avogadro

    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.
  • 9
    InQuanto

    InQuanto

    Quantinuum

    Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the fundamental properties of matter and hence is a powerful tool in the design and development of new molecules and materials. However, molecules and materials of industrial relevance are complex and not easy to accurately simulate. Today’s capabilities force a trade to either use highly accurate methods on the smallest-sized systems or use approximating techniques. InQuanto’s modular workflow enables both computational chemists and quantum algorithm developers to easily mix and match the latest quantum algorithms with advanced subroutines and error mitigation techniques to get the best out of today’s quantum platforms.
  • 10
    BIOVIA TURBOMOLE

    BIOVIA TURBOMOLE

    Dassault Systèmes

    BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations.
  • 11
    TrendMiner

    TrendMiner

    TrendMiner

    TrendMiner is a fast, powerful and intuitive advanced industrial analytics platform designed for real-time monitoring and troubleshooting of industrial processes. It provides robust data collection, analysis, and visualization enabling everyone in industrial operations for making smarter data-driven decisions efficiently to accelerate innovation, optimization, and sustainable growth. TrendMiner, a Proemion company, is founded in 2008 with our global headquarters located in Belgium, and offices in the U.S., Germany, Spain and the Netherlands. TrendMiner has strategic partnerships with all major players such as Amazon, Microsoft, SAP, GE Digital, Siemens and Aveva, and offers standard integrations with a wide range of historians such as OSIsoft PI, Yokogawa Exaquantum, AspenTech IP.21, Honeywell PHD, GE Proficy Historian and Wonderware InSQL.
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