Borsa de treball (Estudiants Titulats)
28
Gener
2019
Acellera Labs SL
Acellera is an SME that provides new technologies for the study of biophysical phenomena supporting drug discovery and design.
Founded in 2006, it was one of the first three companies worldwide to leverage the use of novel accelerator processor technology. Today Acellera is the main simulation based company in the market of computational chemistry. Over the last 10 years, Acellera has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics simulations. It first commercial product, ACEMD, pioneered the use of graphical processing units (GPUs) for molecular simulations, and furnished personal workstations with supercomputer levels of performance.
The company has around 100 clients in different segments, including 10 of the top 50 pharmaceutical companies.
Descripció lloc de treball:
Development of an advanced graphic user interface (GUI) for the PlayMolecule scientific application web app repository
Oferta dirigida a:
- Enginyer/a Tècnic en Informàtica de Gestió
Oferim:
The student will work in the improvement and release of a new graphic user interface (GUI) for PlayMolecule, a popular platform for biomolecular-related applications with hundreds of unique users every month available at https://www.playmolecule.org.
The platform was born in 2017 and serves as a repository of web applications for molecular modelling tools such as ProteinPrepare[Martínez-Rosell2017] and pioneering deep learning applications such as Kdeep [Jiménez2018]. The PlayMolecule platform bridges the gap between academia and industry by allowing to deploy state-of-the-art and experimental applications directly to big pharma companies, speeding up the adoption of innovative technology.
References
- Martínez-Rosell, G., Giorgino, T., & Fabritiis, G. D. (2017). PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations. Journal of Chemical Information and Modeling, 57(7), 1511-1516. doi:10.1021/acs.jcim.7b00190
- Jiménez, J., Škalič, M., Martínez-Rosell, G., & Fabritiis, G. D. (2018). KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks. Journal of Chemical Information and Modeling, 58(2), 287-296. doi:10.1021/acs.jcim.7b00650
The student will work closely with Acellera developers to provide a list of improvements on the front-end as well as the back-end if necessary.
The tasks related to the front-end include:
Development of a widget to allow custom molecular selections using the NGL selection language
Addition/deletion of desired molecular representations on the NGL viewer
Development of dynamic plots (plotly.js) ready to interface with the PlayMolecule back-end
The tasks related to the back-end include:
Development of functionalities necessary to make custom GUI molecular selections
Development of routines that allow PlayMolecule applications to serve dynamic plots using the Plotly framework
We offer:
- Flexible working hours adapted to the requirements set by UPC intership programme
- Gross salary: 1.200 EUR/month
Demanem:
Proficiency in:
HTML
CSS/CSS3
Javascript
AngularJS
Python
Desirable:
Flask
SQL databases
Plotly.js
NGL.js
Dades de contacte:
Irene Escolar (Operations Magener)
jobs@acellera.com
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