Off to @NeurIPSConf next week? So are we! 😎 Come meet our team @WillMcCorki1
@_joanna_yoo @john_pryan@_lychrel Explore exciting opportunities in #AI-powered drug discovery for ML researchers and engineers. Join our mission to conquer disease. 🔬💪https://t.co/zHmGNR2jWD
Entering my 3rd year in drug discovery after leaving ML research at Twitter. I'm sharing the BEST resources (books, courses, tools) that helped me make the jump 👇
First up: BOOKS that changed the game for me:
General Bio/Science:
The Double Helix, James Watson - A classic.
What is Life? by Nobel laureate and @IsomorphicLabs advisor Paul Nurse.
The Code Breaker, bio of CRISPR starring Nobel laureate and @IsomorphicLabs advisor Jennifer Doudna by @WalterIsaacson,
Lessons in Chemistry, Bonnie Garmus. My wife got me this as a joke. Not what I expected. Great book though.
Cancer Focused:
The Emperor of All Maladies, Siddartha Mukherjee
The Breakthrough @TheGoodNurseBK
The Death of Cancer @DeVitaDoctor
The Cancer Code @drjasonfung
Drug Discovery Specific:
For Blood and Money, the development of BTK inhibitors, @nathanvardi
The Billion-Dollar Molecule, the Vertex story, Barry Werth
Textbooks (for the hardcore):
Medicinal Chemistry 7th Edition. Graham L Patrick. For how to drug different protein classes.
Molecular Biology of the Cell, 5th edition, Bruce Alberts.
What are YOUR go-to resources? Let's swap recommendations! #DrugDiscovery #ScienceTwitter #BioTech #ML Courses and other tricks and tools to follow…
Intrigued by drug discovery? 🧪 This article on the rise & fall of @reverie by former CEO @agupta is a MUST-READ! 🤯
Key takeaways:
1. Big Pharma don’t like to buy software.
2. Bio $ for molecules? 💸 Tread carefully...
3. Develop your own chemical matter
4. Even with top tech, odds are low. 🍀
Agree? Disagree? Let's discuss! 👇 #drugdiscovery #biotech #startups #machinelearning
Really cool intro to computational protein folding featuring some current and former colleagues...
...and if you interested in the physics of proteins folding, then lecture 5 from @eriklindahl https://t.co/OQfVfoZAld is a great place to go.
#drugdiscovery#AI4Science
2 years ago, I left ML research at Twitter to dive into drug discovery—a field I knew nothing about. 💡
I last studied biology/chemistry at 16. I previously shared by top books. Now here are the FREE online courses that taught me the fundamentals - rated by how much they helped me pivot careers. 🧬💻
Biology
@edXOnline Introduction to Biology - The Secret of Life. If you do just one, do this one. @eric_lander is a great teacher, who features in The Code Breaker, the story of CRISPR that made my top books 5/5
Chemistry (@MITxCourses@ChemistryMIT@edx)
General Chemistry I. Chemical bonding and molecular geometry. Essential. 5/5
General Chemistry II: Gibbs free energies, acid and bases, reaction rates and enzymes. Matt Shoulders - top lecturer, great name. 4/5
Biochemistry (do after biology & chemistry. Obvs)
HarvardX @RachelleGaudet: Principles of Biochemistry. More advanced. Amino acids, protein structure, Kreb cycle and metabolism. 3/5.
@MITxCourses@edXOnline Biochemistry: Biomolecules, Methods, and Mechanisms
Chemical biology. Next on my list.
Drug discovery
@H3D_UCT@coursera: Introduction to Small Molecule Drug Discovery & Development. Terminology and pipeline of drug discovery. Inspiring w/ a perspective on infectious diseases and traditional medicine in Africa. 4/5
Cancer
@coursera@JohnsHopkins three courses on cancer. Made in 2016 and lower quality than the others here. 2/5
What are YOUR go-to resources? What did I miss? Let's swap recommendations! #DrugDiscovery #ScienceTwitter #BioTech #ML Next up the essential tricks and tools…
🚀 From ML at Twitter to Drug Discovery: Practical Tips That Made a REAL Difference! 🔬💡
Two years ago, I made the leap from ML research to drug discovery. I’ve shared books & courses before—now it’s time for hands-on tools & tricks that helped me level up. Let’s dive in! 👇
GenAI for Science
Like everyone, I use LLMs daily. But these two tools have raised the bar:
🔥 Gemini Deep Research – Need a crash course on a new topic?
🔍 Example: “Summarize the latest cancer therapies, including effectiveness data.”
📄 Output? A 9-page report, 34 references, & insights from 94 sources—auto-magically.
📚 NotebookLM – Your personal AI-powered research assistant.
I uploaded:
📖 Medicinal Chemistry – Graham L. Patrick
📖 Drug Design – Gerhard Klebe
📖 Molecular Biology of the Cell – Alberts
Now, I have a chatbot trained on my books—with citations! 🔥
Bonus? It turns notes into custom podcasts 🎙️. Want a deep dive on drugging ion channels? Just ask. Perfect for the morning 🚴.
Molymod: The OG 3D Visualizer
Can you mentally rotate a 3D protein with dozens of degrees of freedom? Neither can I. Nothing beats a physical Molymod model for grasping conformation & chirality. I keep a tripeptide on my desk.
What to Memorize (Yes, Even in the GenAI Era)
Turns out, chemists can talk faster than LLMs can think. What I committed to memory:
🧬 Amino acid structures, properties & one-letter codes
🧪 Common chemical functional groups & their suffixes (e.g., -ane, -ene, -zole)
💊 Key drug properties (logP, logD, Papp A-B, etc.)
The Power of Notes
Maybe future AI agents will store everything, but for now? I keep a Google Docs network of interlinked notes—a modern version of the commonplace book used by Da Vinci, Newton & Darwin.
💡 What are your BEST tips and tricks? What did I miss? Let’s swap recommendations! 👇 #DrugDiscovery #ScienceTwitter #BioTech #ML
Next up: Going the other way? Natural science to ML … stay tuned! 🚀
Hey @glossier. The label is coming off my skin tint and results in me getting white bits on my face like bad glitter. It's never happened before but it's quite annoying. I think you've got a dodgy batch.
1/3 Twitter graph ML full house at #ICLR2023 :
📜Poster https://t.co/HScrxY6Td6
🔦Spotlight https://t.co/INKkzhT23d top 25%
👄Oral https://t.co/0G6qTl5BiR top 5%
spanning my recent interests in continuous GNNs, hyperbolic geometry (applied to RL this time) & link prediction
1/4 Today we released two new link prediction models developed over the past 12m. We solve many problems that prevent GNNs succeeding at link prediction by adding a message passing mechanism that uses sketches of subgraphs.
https://t.co/0G6qTl5BiR