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
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
Cline - AI Coding, Open Source and Uncompromised
Cline is the open-source AI coding agent that gives you direct access to frontier models with complete transparency. Plan Mode, MCP integration, and zero vendor lock-in. Join 3.8M+ developers.
cline.bot
November 13, 2025 at 9:53 AM
Just back from a working week in Boston, visiting clients and exploring the new frontiers in AI-led drug discovery.
November 8, 2025 at 2:51 PM
Just back from a working week in Boston, visiting clients and exploring the new frontiers in AI-led drug discovery.
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
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
September 15, 2025 at 10:40 AM
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
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
Beautiful evening
May 8, 2025 at 8:15 PM
Beautiful evening
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.
April 26, 2025 at 5:16 PM
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...
#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
April 25, 2025 at 10:18 AM
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...
#compchem @bioascent.bsky.social
#ml #drugdiscovery #drugdesign #ADMET
thedatalab.com/guest-blog/h...
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
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
April 16, 2025 at 12:25 PM
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
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
April 15, 2025 at 9:16 PM
London in the morning mist
April 12, 2025 at 8:16 AM
London in the morning mist
Nature is waking up
April 6, 2025 at 11:25 AM
Nature is waking up
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
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
March 27, 2025 at 4:47 PM
March 22, 2025 at 3:25 PM
March 15, 2025 at 6:17 PM
Spring is coming?
March 15, 2025 at 3:15 PM
Spring is coming?
Home office in the sun
March 15, 2025 at 11:16 AM
Home office in the sun
@elrig.org Research and Innovation 2025, London
A great day of science and innovation ahead
#compchem #drugdesign #drugdiscovery #ai #ml #llm #llms
A great day of science and innovation ahead
#compchem #drugdesign #drugdiscovery #ai #ml #llm #llms
March 10, 2025 at 9:38 AM
@elrig.org Research and Innovation 2025, London
A great day of science and innovation ahead
#compchem #drugdesign #drugdiscovery #ai #ml #llm #llms
A great day of science and innovation ahead
#compchem #drugdesign #drugdiscovery #ai #ml #llm #llms
On the hills in southern Italy, my roots
March 4, 2025 at 1:44 PM
On the hills in southern Italy, my roots
January 23, 2025 at 5:54 PM
bsky.app/profile/bioa...
We are on Bluesky, follow us
#drugdiscovery #drugdesign #compchem #outsourcing
We are on Bluesky, follow us
#drugdiscovery #drugdesign #compchem #outsourcing
January 22, 2025 at 4:47 PM
bsky.app/profile/bioa...
We are on Bluesky, follow us
#drugdiscovery #drugdesign #compchem #outsourcing
We are on Bluesky, follow us
#drugdiscovery #drugdesign #compchem #outsourcing
January 22, 2025 at 1:50 PM
pubs.rsc.org/en/content/a...
Iteresting approach
#genAI #AI #drugdesign #drugdiscovery #compchem #chemistry
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
January 22, 2025 at 9:54 AM
pubs.rsc.org/en/content/a...
Iteresting approach
#genAI #AI #drugdesign #drugdiscovery #compchem #chemistry
Iteresting approach
#genAI #AI #drugdesign #drugdiscovery #compchem #chemistry
Around Florence
December 21, 2024 at 3:27 PM
Around Florence