Results from ML-based exploration of optical rotation prediction, with the identification of influential dihedral angles highlighted in the molecular structure on the right.

Applying machine learning to uncover molecular property insights

"I appreciate their methodical approach and the computational tools they were able to introduce to the project, which were essential in enabling the research."

Join us for a four hour online hands-on introduction to high performance computing (HPC) on a NeSI supercomputer, followed by 3 hour Running Deep Learning on NeSI session! Over two days, members of... Read more

On Wednesday, 28 February 2024 from 10:00am to 4:00pm, NeSI and Genomics Aotearoa will be co-hosting a workshop on Introduction to R.This online workshop is for New Zealand researchers interested i... Read more

On 6 March 2024 from 10:00am to 4:00pm, NeSI and Genomics Aotearoa will be deliver the next Long-Read Genome Assembly workshop online.This workshop is open to all New Zealand researchers interested... Read more

NeSI is seeking a Senior HPC Cloud Platform DevOps Engineer to join our passionate team on a full-time, permanent basis. Applications must be submitted online by the closing date of 17 February 202... Read more

Join our online Office Hour sessions in February 2024!Session will be hosted on Zoom. Click on the link below to save the date & Zoom link to your Google calendar. All details indicated below a... Read more

NeSI is looking for an experienced DevOps and Integration Programmer to join our team on a fixed term (6 months) basis. You will design and implement a suite of open-source products underpinning an... Read more

The Carpentries is a global program to teach foundational computational and data management skills to researchers. New Zealand trains several potential Carpentries Instructor trainees every year an... Read more

In March 2024, NeSI will be offering a virtual Machine Learning 101 workshop and you are invited to fill out an expression of interest form to signal your interest in attending. Date for the worksh... Read more

Nisha Ghatak, NeSI Research Communities Advisor and Training Lead, has been elected to the Board of Directors of The Carpentries, a global community focused on teaching coding and data science skil... Read more