Angelo Pugliese
@angelo-rules.bsky.social
Assoc. Director, #compchem 💻, #drugdesign 💊, #digital📱, #ml💡, #ai 🧠. In temporal order: son, Italian, brother, husband, father, British and not much more. Juventus FC. Gym goer. Views my own.
I set up an #agentic #AI workflow inside #VSCode with two free tools. The "Body" is cline.bot a free, open-source agent for VSCode and the "Brain" is openrouter.ai like a universal remote for #LLMs. It gives you one #API key for hundred of models and many are free. Works well #ML #LLM #compchem
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cline.bot
Just back from a working week in Boston, visiting clients and exploring the new frontiers in AI-led drug discovery.
Great week at the #AIChem25 meeting in Cambridge Our work on AI-driven design of GLP1 PAMs was very well received
I'm looking forward to presenting two posters at #AIChem25 AI-Driven Design of GLP-1R Positive Allosteric Modulators: A Synergy of Generative Models, Active Learning, and Molecular Dynamics AI-Driven Discovery of Novel NLRP3 Inhibitors Using Reinforcement Learning #compchem #drugdesign #ml #GLP1
To my network: does anybody have or can redirect me to a Design Of Experiment dataset for ML modelling? Preferably bio/assay data but I can work with anything. It's for a student we are hosting this summer. I checked Google datasets and Kaggle but not much there.
I wrote a blog for TheDataLab - Innovation Centre about how hashtag #AI is offering faster, more accurate predictions of a #drug's safety. #compchem @bioascent.bsky.social #ml #drugdiscovery #drugdesign #ADMET thedatalab.com/guest-blog/h...
How AI Makes Finding Safe Medicines Faster - The Data Lab
Discover how AI is transforming drug discovery in this guest blog by Dr. Angelo Pugliese of BioAscent.
thedatalab.com
There is always something that you don't know. I didn't know about "Spot GPUs" GPUs (Graphics Processing Units) that are available for short-term, discounted use in cloud computing platforms, typically through a" spot instance" pricing model. Thanks Fovus for the chat at #DrugDiscoveryChemistry
Our CADD work on KRAS was acknowledged at #DrugDiscoveryChemisty in San Diego @bioascent.bsky.social
Take a tour #compchem #drugdiscovery #drugdesign #lifesciences #cro
BioAscent@bioascent.bsky.social · last yr.Where success begins. Take a tour of our facilities and meet members of our expert team describing the integrated drug discovery offering at BioAscent. #CompanyVideo #IntegratedDrugDiscovery #LifeSciences #DrugDiscovery
@elrig.org Research and Innovation 2025, London A great day of science and innovation ahead #compchem #drugdesign #drugdiscovery #ai #ml #llm #llms
bsky.app/profile/bioa... We are on Bluesky, follow us #drugdiscovery #drugdesign #compchem #outsourcing
pubs.rsc.org/en/content/a... Iteresting approach #genAI #AI #drugdesign #drugdiscovery #compchem #chemistry
TopMT-GAN: a 3D topology-driven generative model for efficient and diverse structure-based ligand design
Recent advancements in 3D structure-based molecular generative models have shown promise in expediting the hit discovery process in drug design. Despite their potential, efficiently generating a focus...
pubs.rsc.org
