11 citations · 26 across the 8 of their papers we have counts for
8 papers
AEGIS: Assay-Aware Protocol Validation and Runtime Monitoring for Open-Source Liquid Handling Robots
Priyanka V. Setty, Arvind Ramanathan, Ian Foster +1
Self-driving laboratories increasingly rely on low-cost liquid handlers such as the Opentrons OT-2, which ship without the pressure-based aspiration monitoring of Hamilton or Tecan…
PRISM: Protocol Refinement through Intelligent Simulation Modeling
Brian Hsu, Priyanka V Setty, Rory M Butler +7
Automating experimental protocol design and execution remains as a fundamental bottleneck in realizing self-driving laboratories. We introduce PRISM (Protocol Refinement through In…
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…
Equivariant Graph Neural Operator for Modeling 3D Dynamics
Minkai Xu, Jiaqi Han, Aaron Lou +6
Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to…
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang +89
In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scient…
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats
Wei Chen, Yihui Ren, Ai Kagawa +9
Fast screening of drug molecules based on the ligand binding affinity is an important step in the drug discovery pipeline. Graph neural fingerprint is a promising method for develo…
Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to Supercomputers
Alexander Brace, Rafael Vescovi, Ryan Chard +4
The Dynamic PicoProbe at Argonne National Laboratory is undergoing upgrades that will enable it to produce up to 100s of GB of data per day. While this data is highly important for…
Towards a Modular Architecture for Science Factories
Rafael Vescovi, Tobias Ginsburg, Kyle Hippe +14
Advances in robotic automation, high-performance computing (HPC), and artificial intelligence (AI) encourage us to conceive of science factories: large, general-purpose computation…