most citedBioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

11 citations · 17 across the 5 of their papers we have counts for

collaborators

5 papers

cs.MA2025

GraphMASAL: A Graph-based Multi-Agent System for Adaptive Learning

Biqing Zeng, Mengquan Liu, Zongwei Zhen

The advent of Intelligent Tutoring Systems (ITSs) has marked a paradigm shift in education, enabling highly personalized learning pathways. However, true personalization requires a…

cs.LG2025★ 1 cited

Exploring Synthesizable Chemical Space with Iterative Pathway Refinements

Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +5

A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. Existing solutions for this problem often struggle to effec…

cs.LG2025★ 4 cited

GenMol: A Drug Discovery Generalist with Discrete Diffusion

Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +6

Drug discovery is a complex process that involves multiple stages and tasks. However, existing molecular generative models can only tackle some of these tasks. We present Generalis…

cs.LG2024★ 1 cited

Molecule Generation with Fragment Retrieval Augmentation

Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +5

Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragme…

cs.LG2024★ 11 cited

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

Peter St. John, Dejun Lin, Polina Binder +89

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increas…