NY
AGIM

We empower computational drug discovery

NYAGIM is a growing community of greater New York City area scientists focused on advancing in silico methods in pharmaceutical research, from computational chemistry to machine learning and protein design.

Scientists collaborating at a scientific presentation

Mission

Connect scientists advancing in silico drug discovery

Foster collaboration and knowledge sharing among academia and industry researchers working at the forefront of computational methods in pharmaceutical research.

Inclusive Forum

We welcome all scientists interested in computational chemistry, medicinal chemistry, chemoinformatics, machine learning, molecular modeling, structural biology, and protein design.

Quarterly Events

We organize regular events featuring scientific seminars, discussions, and networking opportunities for the greater New York City area community.

Upcoming Events

Join the NYAGIM community for quarterly events featuring leading experts in computational drug discovery

NYAGIM 2025 Q4 Event
In-person only
NYAGIM 2025 Q4 Event
Huafeng Xu • Atommap

Computational Drug Discovery: Beyond Binding

Emerging therapeutic modalities—targeted protein degraders, biased agonists, allosteric modulators, and more—operate beyond occupancy-based inhibition, requiring molecules that reshape conformational landscapes.

December 2025
Sponsored by Schrödinger
RSVP by: December 9, 2025
NYAGIM 2026 Q1 Event
In-person only
NYAGIM 2026 Q1 Event
Featured Speaker TBA • Leading Research Institution

Machine Learning in Drug Design

Join us for an exciting discussion on the latest advances in machine learning applications for computational drug design and molecular optimization.

March 2026
NYC Area Venue
RSVP by: TBA
NYAGIM 2026 Q2 Event
In-person only
NYAGIM 2026 Q2 Event
Featured Speaker TBA • Pharmaceutical Industry Leader

Structural Biology & Protein Design

Explore cutting-edge techniques in structural biology and how they inform modern protein design strategies for therapeutic development.

June 2026
NYC Area Venue
RSVP by: TBA

We routinely post events on MeetUp for easy registration and community updates

Our Sponsors

We're grateful to our sponsors who make NYAGIM events and community activities possible

Platinum Sponsors

Schrödinger

Gold Sponsors

Atommap
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Silver Sponsors

Sponsor Name
Sponsor Name
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Interested in sponsoring NYAGIM?

Get in Touch

Join the NYAGIM Community

Connect with fellow scientists from academia and industry working at the forefront of computational drug discovery. Be part of our quarterly events, scientific discussions, and networking opportunities.

Open to all scientists interested in in silico methods and drug discovery