Publications

1498 results for Machine Learning

Deep learning assisted Suzuki cross coupling catalyst design
- - Oliver Schilter
  - Federico Zipoli
  - et al.
- 2022
- ACS Fall 2022
Predicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learning
- - Jeff Weber
- 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
Towards Feature Overcorrelation in Deeper Graph Neural Networks
- - Charu Aggarwal
- 2022
- KDD 2022
Advances, challenges and opportunities in creating data for trustworthy AI
- - Weixin Liang
  - Girmaw Abebe Tadesse
  - et al.
- 2022
- Nature Machine Intelligence
AI-enabled Decarbonization Framework
- - Ayush Jain
  - Manikandan Padmanaban
  - et al.
- 2022
- KDD 2022
MPEGO: A toolkit for multi-level performance evaluation of generative models for material discovery domains
- - Girmaw Abebe Tadesse
  - Jannis Born
  - et al.
- 2022
- KDD 2022
BusiNet - a Light and Fast Text Detection Network for Business Documents
- - Oshri Naparstek
  - Ophir Azulai
  - et al.
- 2022
- KDD 2022
Fragile Earth: AI for Climate Mitigation, Adaptation, and Environmental Justice
- - Naoki Abe
  - Kathleen Buckingham
  - et al.
- 2022
- KDD 2022