Dotmatics Launches Chemistry Solution for Small Molecule Drug Discovery

Boston, July 18, 2022 – Dotmatics, an R&D scientific software company connecting science, data and decision-making, today announced the release of its Chemistry Solution for Small Molecule Drug Discovery, a package of scientific R&D applications, workflows and data management capabilities. The solution combines Dotmatics’ enterprise scientific platform with workflows and best practices derived from the […]

Exascale Computing Project Releases New Version of Extreme-Scale HPC Scientific Software Stack

The Extreme-scale Scientific Software Stack (E4S) high-performance computing (HPC) software ecosystem—an ongoing broad collection of software capabilities continually developed to address emerging scientific needs for the US Department of Energy community—recently released version 22.02. E4S, which began in the fall of 2018, is aimed at accelerating the development, deployment, and use of HPC software, thereby […]

Applications Open for 2022 Better Scientific Software Fellowship Program

Applications are now open for the BSSw Fellowship Program, which provides recognition and funding for leaders and advocates of high-quality scientific software who foster practices, processes, and tools to improve scientific software productivity and sustainability. Application deadline: Thursday, Sept. 30, 2021. BSSw Fellows are selected annually based on an application process that includes the proposal […]

Exascale and Beyond: DOE Funds $12M for Adapting Software for Next-Gen Supercomputers

The U.S. Department of Energy (DOE) today announced plans to provide up to $12 million for research aimed at adapting scientific software to run on next-generation of supercomputers. DOE said applications will be open to DOE national laboratories, universities, industry, and nonprofit research institutions.  Funding is to be awarded competitively, on the basis of peer […]

ICM and SBI to Collaborate on Use of Garuda, Other Scientific Software Platforms

Dec. 14 – A memorandum of understanding between ICM University of Warsaw, Poland and Tokyo based The Systems Biology Institute (SBI) which was signed recently signals a beginning of a research and development collaboration between the two entities. The main areas of interaction will be the collaboration on and the use of scientific software platforms, […]

Podcast: When a Different OS Gets Different Results

In this podcast, the Radio Free HPC team looks at problems in the scientific software world. “There’s a bug in Python scripts that caused different results in identical routines run on different operating systems. As the guys discuss, it’s not a Python thing but a problem with the order in which files got read according to the operating system’s protocols. This impacts the sort order and thus the end results. The gang speculates on other causes of these types of problems and the fixes that should be employed.”