
Computational Chemistry Automation Software
Market context
Molecular modeling plays a significant role in the Dutch economy, as it underpins innovation in key sectors such as chemicals, biotechnology, and energy, reducing research costs and accelerating time-to-market1,2.
As the world’s second-largest agricultural exporter, the Netherlands is actively replacing chemical pesticides with biological alternatives to meet SDG23. Researchers use molecular modeling to design RNA molecules that precisely “switch off” vital genes in pests without harming beneficial insects or the environment4.
At Wageningen University (WUR), scientists are modeling the behavior of natural compounds to understand how they repel insects at the molecular level and to develop effective repellents based on them5.
References
- Goldbeck, Gerhard. “The economic impact of molecular modelling of chemicals and materials.” Goldbeck Consulting (2012)
- Lin X, Li X, Lin X. A Review on Applications of Computational Methods in Drug Screening and Design. Molecules. 2020 Mar 18;25(6):1375. doi: 10.3390/molecules25061375
- Sustainable Development Report 2025 — https://dashboards.sdgindex.org/profiles/netherlands/
- Chunyu Fan, Zekai Li, Zhiping Xu, Yangyang Yang, and Xuhong Qian Journal of Agricultural and Food Chemistry 2026 74 (9), 7367-7384 DOI: 10.1021/acs.jafc.5c15509
- Bino, R. J. (2003). “De smaak van een tomaat en de geur van goed onderzoek. Wageningen Universiteit. https://edepot.wur.nl/38559“
Problems
- Despite the digitalization of the 21st century, scientists are forced to use the Text-based User Interface (TUI) as they did in the 1980s. Using the TUI increases the task execution time more than twice compared to using the Graphical User Interface (GUI)1.
- Scientists are forced to use a lot of freestanding and disintegrated software components. Since that they should convert incompatible formats manually and in fact integrate these components by themselves.
- Often context switching disrupts a scientists’ workflow and lowers their productivity.
Almost 40% of scientist’s workday is wasted.
About €25000 per year per scientist is wasted for non-profitable routines2.
References
- https://pmc.ncbi.nlm.nih.gov/articles/PMC2655855/#t1-amia-0125-s2007
- https://www.payscale.com/research/NL/Job=Senior_Research_Scientist%2C_Biotechnology/Salary
- To reproduce an experiment it is required to have completely identical computation pipeline. When scientists use many components it is hard work to match versions and settings in these chains.
- If any proprietary component is used in the core of a pipeline it renders as additional costs for reproducers. Such pipelines can be reproduced only by scientist with the same proprietary software.
- Due to lack of versioning it is almost impossible to guarantee that a pipeline has exactly the same settings between experiments.
Reproducibility — the core principle of scientific knowledge.
About 47% of scientific articles in biomedical researches are not verifiable due to irreproducibility1.
References
- Cobey KD, Ebrahimzadeh S, Page MJ, Thibault RT, Nguyen P-Y, Abu-Dalfa F, et al. (2024) Biomedical researchers’ perspectives on the reproducibility of research. PLoS Biol 22(11): e3002870. https://doi.org/10.1371/journal.pbio.3002870
- Top-tier chemical software costs (€15,000 to €50,000 per year per license) are unaffordable for small and medium research groups1,2.
- The market is primarily oriented to big-pharma and does not respond to other chemists needs.
- While using such expensive software, non-pharmaceutical research groups also pay for the irrelevant features for they work.
- Underfunded research groups are forced to use open source solutions, which are free but require much more advanced programming and configuration skills, slowing down the science.
Small and medium scientific groups are in the “market shadow”.
While big pharma has sport-cars, they are still pedestrians.
References
- https://www.strategicmarketresearch.com/market-report/molecular-modeling-market
- Goldbeck, Gerhard. “The economic impact of molecular modelling of chemicals and materials.” Goldbeck Consulting (2012)
Product

MoleoStudio
A digital tool for research teams and spin-off startups in the field of molecular modeling that reduces time-to-science delay by simplifying routine operations and increasing the reproducibility of experiments.
Showcase

Innovation
Our novel project-oriented approach offers straightforward way to operate hundreds molecular models at the same time. Which speeds up drug candidates development and screening.
The solution is synergetic alloy of open-source software and our proprietary tools. This offers modular and extensible architecture and provides shallow learning curve.
Our solution offers integration with world-class version control systems, eliminating manual approach (e.g. Work_Final_2_SureFinal). Thus, it is possible to “travel” between versions and seamlessly compare them with exact precision.
Pricing
We offer a flexible pricing policy designed to ensure access to our best solutions even for underfunded research groups. The community version is completely free and still provides essential research tools.

Community
- Integrated 3D editor
- Local Click-to-Compute
- Control panel for running experiments
- Versioning of experiment
- Empirical analysis
- Community support
Free
open source

Professional
- Integrated 3D editor
- Local Click-to-Compute
- Control panel for running experiments
- Versioning of experiment
- Empirical analysis
- Cluster Administrator Panel
- Remote Click-to-Compute
- Enterprise support
- Perpetual fallback license
€999
annually per user
€99
annually per GPU

Cloud
- Community and Pro subscription
- Managed infrastructure
- Top-tier GPUs
- Web-based control panel
- Integration with VSCode
- On-demand payment
€0.05
per minute, per GPU
Roadmap
Product development
- Problem-solution validation
Fundraising and marketing
- Market and customer segments mapping
- Prepare advertisement materials
- Initial ecosystem contacts
Legal and administrative operations
- Agreement with the facilitator
- Start facilitation program
- Legal entity registration (VOF)
- Business bank account
- Release MoleoStudio Community Edition 1.0
- Open source community engagement
- Solution validation and feedback loop
- Commercial support of early adopters
- Partnership outreach
- Pilot partner search
- Refining marketing and go-to-market plans
- Funding opportunities research
- Release Moleo Studio Professional 1.0
- Pilot project execution
- Refining business model
- Updating operational planning
- Subsidy and grant outreach
Contacts
Any questions? Don’t hesitate to reach us!