Research Scientist/Scientific software engineer
At Acellera (, we are looking for an enthusiastic, talented and self-managed scientific software engineer to develop Acellera’s state-of-the-art scientific applications and PlayMolecule (, a drug discovery platform used by thousands of scientists worldwide, pharmas and biotech companies. Acellera values excellence, merits and scientific innovation above anything else.

Your work will focus on developing the platform and its applications based on two main pillars, physical-based molecular simulations on GPUs and machine learning/AI, thus contributing to the company mission of accelerating the transition towards a computerized drug discovery process. The development of the platform will be done in conjunction with scientists of different backgrounds such as biology, computational chemistry or mathematics, so the position should be particularly appealing to individuals with general scientific knowledge. The position is based within the informatic and innovation hub of Barcelona (Spain).

Founded in 2006, Acellera was one of the first companies worldwide to leverage the use of novel accelerator processor technology (GPU) for molecular simulations. Among our clients, we count 10 of the top 50 pharmaceutical companies. We were selected as one of the Top30 AI Drug Discovery companies in 2019. Our software includes PlayMolecule, ACEMD, HTMD, KDEEP, etc. and it’s used by hundreds of users both in academia and the private sector. In particular, is the first platform to democratize the use of molecular dynamics and machine learning applications for drug discovery.

**THE ROLE (Here is what you will do):**

● Grow the capabilities, usability and overall impact of for scientists
● Develop new, state-of-the-art, scientific applications for drug discovery based on molecular simulations and machine learning
● Contribute to improving critical front-end and server-side functionalities
● Contribute to software engineering in Acellera, including standard software engineering practice such as version control of apps, documentation, release schedule and continuous integration in testing environments
● Publish scientific papers and attend scientific conferences pushing the limits of computational drug discovery
● Support the deployment of the platform

YOU (What we are looking for):

● Excellent programming and software engineering skills with Python and possibly other languages. A solid basis of Linux, git, etc.
● A solid scientific background in either structural computational biology or machine learning
● Possibly knowledge of front-end web development and client-side languages like Javascript, HTML, CSS
● A background in physics, computer science or chemistry and hold a Phd in a field related to this job offer
● Fluent in English
● Note: you need to have a valid EU work permit to apply to this position


● Full time, permanent contract.
● A competitive salary, aligned to market practices and cost of living in Barcelona
● Flexible environment with a good balance between professional and personal life
● Possibility to grow professionally with us

Does this sound like you? We’d like to hear from you.
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