Applications of modular co-design for <i>de novo</i> 3D molecule generation

A scalable and accurate transformer model unifies diffusion and flow-matching approaches to generate realistic 3D molecules.

Authors

Institutions

Publication Details

Journal
Digital Discovery
Published
2026-01-01
DOI
https://doi.org/10.1039/d5dd00380f
Citations
1
Primary Topic
Crystallography and molecular interactions
Type
article
Field-Weighted Citation Impact
26.05
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Applications of modular co-design for de novo 3D molecule generation

Danny Reidenbach, Saee Paliwal, Olexandr Isayev, Filipp Nikitin
1 citations
Digital Discovery
Crystallography and molecular interactions
26.05
article

Applications of modular co-design for de novo 3D molecule generation

Danny Reidenbach, Saee Paliwal, Olexandr Isayev, Filipp Nikitin
article en
1 citations

Abstract

A scalable and accurate transformer model unifies diffusion and flow-matching approaches to generate realistic 3D molecules.

Digital DiscoveryVol. 5(2)
Nvidia (United States) (US), Carnegie Mellon University (US)
Openalex Percentile: Top 2%
Crystallography and molecular interactions
26.05
DOIOpen Access PDFOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.