Cresset, a provider of software and services for small molecule discovery and design, has announced the release of Forge V10.4, the latest version of its computational chemistry workbench for ligand-based design
Genedata has introduced version 4.0 of Genedata Selector, a genome knowledge management solution with capabilities for reference-independent genome sequence comparisons while reducing data processing and analysis time
Cresset has released version 10.4 of Torch, a 3D molecule design tool for medicinal and synthetic chemists
Accelrys has announced the availability of an extensive set of advanced predictive sciences applications and services
Dotmatics has released a new chemical drawing software designed to increase the productivity of chemists in the industry and in academia
Cresset has announced that Activity Miner, a new intuitive SAR interpretation tool that identifies the key 3D structural and electrostatic changes impacting biological activity, is available as a module in its Torch and Forge software suites.
Simulations Plus, a provider of simulation and modelling software for pharmaceutical discovery and development, has released version 8.5 of its GastroPlus software for the simulation of gastrointestinal absorption, pharmacokinetics, and pharmacodynamics
Certara, a provider of software and scientific consulting services to improve productivity and decision-making from drug discovery through drug development, has released version 13 of its Simcyp Simulator
Certara has released version 2.1 of its SYBYL-X molecular modelling and simulation suite
Cresset has released a new Activity Miner module. The company says the product helps researchers optimise their leads by identifying the key 3D structural and electrostatic changes that impact molecular activity
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As the number of applications and potential user groups for HPC continues to expand supporting domain expert scientists use and access of HPC resources is increasingly important
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Determining the best approach to a digital transformation effort can be a confusing and complex task for most organisations, suggests Dave Dorsett, principal software architect at information technology consultancy, Astrix
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The confluence of data, compute power and advances in the design of algorithms for AI (artificial intelligence) and ML (machine learning) are driving new approaches in the laboratory
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Fugaku is the fastest supercomputer in the world as of 2021, developed with both performance and generality in mind with the ‘applications first’ philosophy.
Robert Roe takes a look at the cloud technologies available to researchers using HPC
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Robert Roe takes a look at the server options that are available to scientists using HPC as a tool for research high performance computing
