Assoc. Director, #compchem, #drugdesign, #digital, #ml, #ai. In temporal order: son, Italian, brother, husband, father, British and not much more. Views mine
I set up an #agentic#AI workflow inside #VSCode with two free tools.
The "Body": https://t.co/5QMYfzRnzd a free, open-source agent for VSCode and the "Brain": https://t.co/KGoor7d6KU like a universal remote for #LLMs. It gives you one #API key for many models.
Works!
#ML
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
Cu there