Molecular Dynamics Simulation Software Market - Growth Drivers and Challenges
Growth Drivers
- Rise in Spending on Research & Development by Pharmaceutical Sector - Around USD 230 billion worldwide were spent on research & development in the pharmaceutical sector in 2021. For contrast, R&D spending reached a total of about USD 130 billion in 2012. The expenses are further anticipated to be used for a wide range of activities, such as the development of incremental innovations such as product extensions, the discovery and testing of new medications, as well as clinical testing for marketing or safety monitoring. Hence this factor is estimated to boost the demand for boost the demand for molecular dynamics simulation software.
- Growing Prevalence of CNS-Related Disorders- The percentage of non-communicable neurological illnesses in India's total DALYs increased from 4% (95% UI 3–2–0) in 1990 to 8 % (6–6–102) in 2019, while the percentage of neurological disorders caused by injuries rose from 2% (0–2-0) to 0–6% (0–5-0).
- Surge in Adoption of Molecular Dynamics Simulation Software- Deep Potential Molecular Dynamics (DPMD), a brand-new machine learning-based technique, was disclosed by the researchers. It could replicate the motion of more than 100 million atoms per day for longer than one millisecond.
- Rise in Frequency of Clinical Trials - Over 430 thousand clinical studies were registered internationally as of November 24, 2022.
- Upsurge in Adoption of AI - With USD 86 million in Series A funding, METiS Therapeutics launched in December 2021 with the goal of using artificial intelligence (AI) and machine learning to reinvent drug discovery and delivery and create the best treatments possible for patients with life-threatening diseases.
Challenges
- Data Size Challenges - Computer simulations generate enormous amounts of information, which makes big data challenges obvious. The logistical difficulties involved with storing, managing, and disseminating terabyte-scale trajectory data persist despite the continuous improvement in storage resource performance and capacity. It has become standard to make original data available to the public when study findings are published, at least in the vast majority of biological science domains. For simulation research, though, this is usually not the case. Hence, this factor is estimated to hinder the growth of the market.
- Information Wealth Challenges
- Unavailability of Enough Number of Researches
Molecular Dynamics Simulation Software Market Size and Forecast:
|
Base Year |
2025 |
|
Forecast Year |
2026-2035 |
|
CAGR |
9.7% |
|
Base Year Market Size (2025) |
USD 550.08 million |
|
Forecast Year Market Size (2035) |
USD 1.39 billion |
|
Regional Scope |
|
Browse key industry insights with market data tables & charts from the report:
Frequently Asked Questions (FAQ)
In the year 2026, the industry size of molecular dynamics simulation software is estimated at USD 598.1 million.
The global molecular dynamics simulation software market size was more than USD 550.08 million in 2025 and is anticipated to grow at a CAGR of over 9.7%, reaching USD 1.39 billion revenue by 2035.
By 2035, North America is projected to secure a 47% share of the molecular dynamics simulation software market, supported by extensive adoption of advanced technologies and rising private funding for molecular dynamics research.
Key players in the market include Schrödinger Inc., Siemens Digital Industries Software, Dassault Systèmes, KTH Royal Institute of Technology, Temple University, Washington University in St. Louis, University of Vienna, Software for Chemistry & Materials B.V., University of Illinois, Agile Molecule, Thermo Fisher Scientific Inc., D.E. Shaw Research, Fujitsu Ltd.
