activity
20232026
most citedSTRIDE: Structure-guided Generation for Inverse Design of Molecules

2 citations · 2 across the 5 of their papers we have counts for

collaborators

5 papers

cs.AI2026

StarHarness: Evolving Harnesses with Stratified Search for Enterprise Environments

Esakkivel Esakkiraja, Denis Akhiyarov, Vikas Yadav +4

We present StarHarness, a framework for evolving environment-specific agent harnesses while keeping model weights fixed. The evolved harness can include prompt and task framing, to…

cs.AI2026

Therefore I am. I Think

Esakkivel Esakkiraja, Sai Rajeswar, Denis Akhiyarov +1

We consider the question: when a large language reasoning model makes a choice, did it think first and then decide to, or decide first and then think? In this paper, we present evi…

cs.SE2025

DeepCodeSeek: Real-Time API Retrieval for Context-Aware Code Generation

Esakkivel Esakkiraja, Denis Akhiyarov, Aditya Shanmugham +1

Current search techniques are limited to standard RAG query-document applications. In this paper, we propose a novel technique to expand the code and index for predicting the requi…

cs.LG2023

Distributed Reinforcement Learning for Molecular Design: Antioxidant case

Huanyi Qin, Denis Akhiyarov, Sophie Loehle +2

Deep reinforcement learning has successfully been applied for molecular discovery as shown by the Molecule Deep Q-network (MolDQN) algorithm. This algorithm has challenges when app…

physics.chem-ph2023★ 2 cited

STRIDE: Structure-guided Generation for Inverse Design of Molecules

Shehtab Zaman, Denis Akhiyarov, Mauricio Araya-Polo +1

Machine learning and especially deep learning has had an increasing impact on molecule and materials design. In particular, given the growing access to an abundance of high-quality…