Predicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learning
- 2022
- ACS Fall 2022
Invited talk
Publications
26877 results for Science
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
TalkCASTELO — a combined machine learning and molecular modeling for drug discovery and protein-protein interaction optimization
- 2022
- ACS Fall 2022
TalkAttempting 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
TalkQuantum computing software design: Interfacing classical codes
- 2022
- ACS Fall 2022
TalkLarge scale density estimation with polynomial expansions and Johnson-Lindenstrauss transformations
- Aleksandros Sobczyk
- Teodoro Laino
- et al.
- 2022
- ACS Fall 2022
PosterGuiding multistep retrosynthesis planning with continuous pathway representations
- Jannis Born
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
PosterRepresentation Learning via Quantum Neural Tangent Kernels
- Junyu Liu
- Francesco Tacchino
- et al.
- 2022
- PRX Quantum
PaperCIMF: Climate impact modelling framework
- 2022
- KDD 2022
Workshop paperDistillation to Enhance the Portability of Risk Models Across Institutions with Large Patient Claims Databases
- Steve Nyamba
- Chao Yan
- et al.
- 2022
- KDD 2022
Workshop paper