Deploying Apache Spark virtual clusters in cloud environments using orchestration technologies

Large-scale virtual screening on public cloud resources with Apache Spark

BACKGROUND Structure-based virtual screening is an in-silico method to screen a target receptor against a virtual molecular library. Applying docking-based screening to large molecular libraries can be computationally expensive, however it constitutes a trivially parallelizable task. Most of the available parallel implementations are based on message passing interface, relying on low failure ra...

Real-time News Recommendations using Apache Spark

Recommending news articles is a challenging task due to the continuous changes in the set of available news articles and the contextdependent preferences of users. Traditional recommender approaches are optimized for analyzing static data sets. In news recommendation scenarios, characterized by continuous changes, high volume of messages, and tight time constraints, alternative approaches are n...

Efficient iterative virtual screening with Apache Spark and conformal prediction

BACKGROUND Docking and scoring large libraries of ligands against target proteins forms the basis of structure-based virtual screening. The problem is trivially parallelizable, and calculations are generally carried out on computer clusters or on large workstations in a brute force manner, by docking and scoring all available ligands. CONTRIBUTION In this study we propose a strategy that is b...

Approximate Stream Analytics in Apache Flink and Apache Spark Streaming

Approximate computing aims for efficient execution of workflows where an approximate output is sufficient instead of the exact output. The idea behind approximate computing is to compute over a representative sample instead of the entire input dataset. Thus, approximate computing — based on the chosen sample size — can make a systematic trade-off between the output accuracy and computation effi...

Getting Started with Apache Spark