Publications

24427 results for Exploratory Science

Quantum computing software design: Interfacing classical codes
- - Max Rossmannek
  - Ivano Tavernelli
  - et al.
- 2022
- ACS Fall 2022
Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery
- - Seung Gu Kang
- 2022
- ACS Fall 2022
Identification of enzymatic active sites with unsupervised language modelling
- - Loic Kwate Dassi
  - Matteo Manica
  - et al.
- 2022
- ACS Fall 2022
CASTELO — a combined machine learning and molecular modeling for drug discovery and protein-protein interaction optimization
- - Leili Zhang
- 2022
- ACS Fall 2022
Large scale density estimation with polynomial expansions and Johnson-Lindenstrauss transformations
- - Aleksandros Sobczyk
  - Teodoro Laino
  - et al.
- 2022
- ACS Fall 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- - Jannis Born
  - Matteo Manica
  - et al.
- 2022
- ACS Fall 2022
Representation Learning via Quantum Neural Tangent Kernels
- - Junyu Liu
  - Francesco Tacchino
  - et al.
- 2022
- PRX Quantum
BusiNet - a Light and Fast Text Detection Network for Business Documents
- - Oshri Naparstek
  - Ophir Azulai
  - et al.
- 2022
- KDD 2022
Document Intelligence 2022
- - Doug Burdick
  - Benjamin Han
  - et al.
- 2022
- KDD 2022
A Fully Differentiable Set Autoencoder
- - Nikita Janakarajan
  - Jannis Born
  - et al.
- 2022
- KDD 2022