In 2020 as a result of lockdown I was asked to help create a course for MRes students as an introduction to computer-aided drug design
Tag: artificial intelligence
This looks interesting, High-throughput experimentation (HTE) accelerates molecular discovery but struggles to quantify yields without pure analyte standards. The current need to purify standards increases
QupKake predicts micro-pKa values with GFN2-xTB plus graph neural networks. Its README targets Linux. On an Apple Silicon Mac the obvious routes all fail: This
UK registered micro, small or medium sized enterprise (SMEs) can apply for a share of up to £3.1 million to deliver feasibility studies for frontier
9th Artificial Intelligence in Chemistry Symposium (https://www.rscbmcs.org/events/aichem9/) Wednesday 2nd – Friday 4th September 2026, Churchill College Cambridge, UK. in person registration is closed but online
Apply for funding for projects focused on speculative and high-risk fundamental research with the potential to deliver high reward and a step change in the
The Summer 2026 edition of the CICAG Distillate has been published and can be downloaded from the CICAG website http://www.rsccicag.org/newsletters.htm. This CICAG Distillate includes articles covering
Anthropic have released Claud Science, Claude Science brings fragmented tools that require specific file formats and Jupyter, R and visualisation tools into a single research
This opportunity is open to UK-based researchers and artificial intelligence (AI) developers from academia, industry, public sector or other organisations. This funding opportunity offers compute
When Nathan Brown and I first discussed a proposed Artificial Intelligence in Chemistry meeting a decade ago we were concerned that the event might not