Alex Derry
Also known as Alexander Derry
Alex Derry is a Biohub research scientist who applies machine learning to protein structure and function and is interested in mechanistic interpretability and scientific discovery with biological foundation models. At MIT, he earned a BS in materials science and engineering, researched bioelectronics and molecular dynamics, and coauthored a 2017 paper on nanowire probes. In 2020, he coauthored a biomedical knowledge-graph method, and ATOM3D received the 2021 NeurIPS Datasets and Benchmarks Best Paper Award. His 2022–2025 work spanned protein-data studies, local-site representations, feature attribution, and residue-level function prediction.
- Now at
- Biohub
- Links
- Google Scholar, X and GitHub
Timeline
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2017
MIT materials science and neural probes
Before his PhD work, he earns a BS in materials science and engineering at MIT and researches bioelectronics and molecular dynamics. In 2017, he coauthors a Science Advances paper on flexible, stretchable nanowire probes for spinal cord circuits.
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2020
Knowledge graphs for drug repurposing
In 2020, he coauthors a knowledge-graph method that uses biomedical literature to propose drug-repurposing hypotheses for rare diseases. The model accounts for uncertainty in literature-derived relationships and explains its predictions.
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2021
ATOM3D molecule benchmarks
In 2021, he coauthors ATOM3D, a collection of benchmark datasets and tools for machine learning on three-dimensional molecules. NeurIPS recognizes the paper with its Datasets and Benchmarks Best Paper Award.
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2022
Training data for protein analysis
In 2022, he coauthors a study of how training-set composition affects algorithms that analyze three-dimensional protein structures.
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2023
COLLAPSE and a Stanford dissertation
He coauthors COLLAPSE in 2023, a framework that learns deep representations from the atoms surrounding protein sites and evolutionary relationships between homologous proteins. In December 2023, he presents a Stanford dissertation on deep learning for protein structure and function using local sites.
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2024
Prospector Heads feature attribution
In 2024, he co-leads a Stanford team that publishes Prospector Heads, an efficient and interpretable method for identifying class-specific features across sequences, images, and graphs.
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2025
PARSE annotates protein function
In 2025, he coauthors PARSE, a method that combines pretrained local structural embeddings and statistical techniques to predict protein function and provide residue-level annotations.
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As of October 2026
Research scientist at Biohub
He is a research scientist at Biohub, with interests in mechanistic interpretability and scientific discovery using biological foundation models. In July 2026, he speaks at a Biohub webinar on ESMC interpretability and the ESM Atlas.
Career
- NowBiohubResearch scientist
Education
Sources and credits
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- Alexander Derry
- Flexible and stretchable nanowire-coated fibers for optoelectronic probing of spinal cord circuits
- A Literature-Based Knowledge Graph Embedding Method for Identifying Drug Repurposing Opportunities in Rare Diseases
- Announcing the NeurIPS 2021 Award Recipients
- ATOM3D: Tasks on Molecules in Three Dimensions
- Training data composition affects performance of protein structure analysis algorithms
- COLLAPSE: A representation learning framework for identification and characterization of protein structural sites
- Alex Derry’s Dissertation Defense
- Gautam Machiraju and Alex Derry lead team for paper accepted for publication in the 2024 International Conference on Machine Learning in Vienna, Austria
- Prospector Heads: Generalized Feature Attribution for Large Models & Data
- Protein functional site annotation using local structure embeddings
- ESMC Interpretability and the ESM Atlas Webinar