Vikram Sundar

Vikram Sundar

Scientist I, Machine Learning @ Generate:Biomedicines

About

I am a computational structural biology and machine learning researcher with a strong background in math and physics. My research interests are in using machine learning and other computational methods to better understand important problems like protein structure and binding with pharmaceutical applications. I work as a machine learning scientist at Generate:Biomedicines and just finished my PhD in MIT's Computational and Systems Biology program as a Hertz Fellow. Previously, I worked as an AI resident at Google and finished an MPhil at the University of Cambridge on a Churchill Scholarship. My PhD research was focused on engineering the specificity of TEV protease to cleave alternative substrates. During my PhD, I developed FLIGHTED, a method using Bayesian inference to denoise high-throughput experiments. I also examined the use of protein language models and very large fitness datasets to predict fitness and design new proteins, learning a great deal about dataset design and model selection in the process. Previously, I worked in the application of machine learning to understand protein/ligand binding and to model DNA-encoded libary datasets; specifically, I developed tools to measure the ability of models to generalize and attribute, new models that proved better at generalizing to unseen proteins, and uncertainty prediction methods for molecular property models. I have also completed internships on diffusion models for de novo design of protein binders at Generate:Biomedicines and on the use of molecular dynamics with permeability modeling at Inductive Bio. Skills: • Capable of directing my own research project, identifying interesting and important questions, and generating simple solutions. • Experienced in collaborating closely with experimentalists and enabling experiment-computation closed-loop cycles. • Machine learning, including traditional approaches and modern deep learning. • Bayesian modeling and inference. • Generative modeling, including diffusion models and variational autoencoders. • Generalization, interpretability, and careful experimental design in evaluating machine learning models. • Linear algebra, analysis, and other areas of math and physics, especially as applied in machine learning. • Application of computational methods to solve important structural biology problems. • Strong verbal and written communication skills, as demonstrated by publications, posters, and presentations at conferences. • Comfortable with Python, scikit-learn, tensorflow, and pytorch.

Country

United States

City

Boston

Industry

Research

Skill

Computational Biology, Research, Machine Learning, Mathematics, Physics, Algorithms, Programming, Molecular Biology, Drug Discovery, Chemistry, Data Analysis, Science, Statistics, Data Science, Mathematical Modeling, Python, Java, Mathematica, Matlab, LaTeX

Experience

Generate:Biomedicines

Scientist I, Machine Learning

Generate:Biomedicines

LinkedIn
2025-7 - Present · 1 yr 3 mos

Somerville, Massachusetts, United States

Massachusetts Institute of Technology

Researcher

Massachusetts Institute of Technology

LinkedIn
2021-6 - 2025-5 · 4 yrs

Cambridge, Massachusetts, United States

PhD thesis research, with Prof. Kevin Esvelt under a Hertz Fellowship. Developing machine learning models for fitness inference from noisy experimental data. Helping develop new high-throughput assays for protein fitness data generation. Developing methods to denoise single-step selection assay data and correct benchmarking of popular ML models. Examining noise in phage-assisted continuous evolution through simulation.

Inductive Bio

Summer Intern

Inductive Bio

LinkedIn
2023-6 - 2023-8 · 3 mos

New York, New York, United States

Explored incorporating molecular dynamics simulations into permeability modeling.

Generate:Biomedicines

Summer Machine Learning Intern

Generate:Biomedicines

LinkedIn
2022-6 - 2022-8 · 3 mos

Somerville, Massachusetts, United States

Developed diffusion models for generating de novo binders to proteins and for loop infilling.

Massachusetts Institute of Technology

PhD Rotations

Massachusetts Institute of Technology

LinkedIn
2020-9 - 2021-3 · 7 mos

Cambridge, Massachusetts, United States

With Prof. Kevin Esvelt: researched applications of machine learning to phage-assisted continuous evolution data. With Prof. Connor Coley: explored meta-learning for low-data drug discovery. With Prof. Amy Keating: developed neural network models for structure-based protein design.

Google

AI Resident

Google

LinkedIn
2019-10 - 2020-8 · 11 mos

San Francisco Bay Area

Research project in uncertainty modeling for molecular property prediction in drug discovery. Examined effectiveness of calibration methods on data from DNA-encoded libraries for hit estimation. Developed applicability domain modeling for DNA-encoded library data.

University of Cambridge

Researcher

University of Cambridge

LinkedIn
2018-9 - 2019-9 · 1 yr 1 mo

Cambridge, United Kingdom

Supervisor: Dr. Lucy Colwell Explored applications of machine learning to understanding protein-ligand binding. Evaluated accuracy of random-matrix-theory models compared to benchmarks. Analyzed effects of dataset bias and debiasing algorithms on generalizability. Developed attribution methods for fingerprint-based cheminformatics models. Developed models for generalizing to unknown proteins and unknown ligands. Research project for MPhil degree in Chemistry under Churchill Scholarship.

Harvard Math Department

Course Assistant for Math 55ab (Honors Abstract Algebra and Honors Real and Complex Analysis)

Harvard Math Department

2017-9 - 2018-5 · 9 mos

Greater Boston Area

Ran discussion sections and graded problem sets for one of the hardest undergraduate math courses in the country. Also was Course Assistant for the same course in the 2015 - 2016 school year.

Harvard University

Researcher

Harvard University

LinkedIn
2016-9 - 2018-5 · 1 yr 9 mos

Greater Boston Area

Supervisor: Dr. David Gelbwaser-Klimovsky, Prof. Alan Aspuru-Guzik Used the Wigner-Kirkwood expansion to compute nuclear quantum corrections to classical force fields for simple liquids like neon. Tested force fields on radial distribution function, density, and phase diagram for neon.

D. E. Shaw Research

Early-College Research Intern

D. E. Shaw Research

LinkedIn
2016-6 - 2016-8 · 3 mos

Greater New York City Area

Worked on the EXtreme Force Field (XFF) team, helping develop new training and test data sets for generating an extremely accurate valent force field.

Education

Massachusetts Institute of Technology

Massachusetts Institute of Technology

LinkedIn

Computational and Systems Biology

2020 - 2025 · 5 yrs

Hertz Foundation Fellow. Advisor: Prof. Kevin Esvelt.

University of Cambridge

University of Cambridge

LinkedIn

Chemistry

2018 - 2019 · 1 yr

Churchill Scholar Supervisor: Dr. Lucy Colwell

Harvard University

Harvard University

LinkedIn

Physics

2017 - 2018 · 1 yr
Harvard University

Harvard University

LinkedIn

Mathematics

2014 - 2018 · 4 yrs

Secondary in Chemistry. summa cum laude, Highest Honors in Mathematics.

The Harker School

The Harker School

LinkedIn
2010 - 2014 · 4 yrs

Vikram Sundar's Contact Information

Email

******@***.com

Phone

(**) *** ****

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