ncfrey / pytopomat Goto Github PK

I'm a Machine Learning Scientist and Group Leader at Prescient Design • Genentech, where I develop and apply ML methods for molecular discovery and design. Previously, I was a Postdoc at MIT with the Lincoln Lab Supercomputing and AI groups, working with Profs Gomez-Bombarelli and Coley on ML for materials and molecule design. I have a PhD in Materials Science & Engineering from the University of Pennsylvania. I was a National Defense Science & Engineering Graduate Fellow in the Shenoy Group and an affiliate scientist at Berkeley Lab with the Materials Project.

• 🔭 I’m working on generative modeling for proteins and neural scaling of large language and geometric deep learning models
• 🧪 I contribute to democratizing deep learning for the life sciences with DeepChem
• 🌱 I’m learning computational biology and antibody engineering
• ⚙️ I use python, pytorch, pytorch-geometric, 🤗, aws, sklearn, pandas, plotly, and bash
• 💬 Ask me about machine learning in applied science and engineering
• 📫 How to reach me: Twitter | LinkedIn | Email