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ProtoMS passes the test: developing a test suite for biomolecular simulation software

20 July 2016

ProtoMS passes the test: developing a test suite for … Jonathan Essex’s Research Group developed ProtoMS , a biomolecular simulation software that … and Python test suite, and to verify the operation of the ProtoMS software as an overall product. The great news is …

Inspiring confidence in computational drug discovery - automated testing for ProtoMS simulations

20 May 2015

… in computational drug discovery - automated testing for ProtoMS simulations Posted by s.hettrick … of modern chemistry, biology, physics and drug design. ProtoMS (short for Prototype Molecular Simulation ) is … The Software Sustainability Institute is working with ProtoMS developers to review and evaluate the software and …

Research Software Group update: software testing and a published paper

18 August 2015

… automated test suite to ensure the correctness of their ProtoMS molecular simulation software , developed in Python … and pharmaceutical industry partners interested in ProtoMS, the automated test suite will help ensure that … is developed. This represents an important step towards ProtoMS becoming a more complete software package, and …

James Graham

26 October 2023

… simulation. During this time he also worked on the ProtoMS Monte Carlo modelling package, which was accepted …