Publications

1498 results for Machine Learning

Development and use of a software platform applied towards the automated synthesis of carbonate monomers and machine learning applications
- - Pedro Arrechea
  - James Hedrick
  - et al.
- 2022
- ACS Spring 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- - Andrea Antonia Byekwaso
  - Alain Vaucher
  - et al.
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- - Loic Kwate Dassi
  - Matteo Manica
  - et al.
- 2022
- ACS Spring 2022
Active site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- - Jannis Born
  - Tien Huynh
  - et al.
- 2022
- ACS Spring 2022
The role of partial charges in data-driven analytics of gas adsorption simulations
- - Binquan Luan
  - Rodrigo Neumann Barros Ferreira
  - et al.
- 2022
- APS March Meeting 2022
Dynamics of Deep Learning: Landscape-dependent Noise, Inverse Einstein Relation, and Flat Minima
- - Yuhai Tu
- 2022
- APS March Meeting 2022
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- - Hsianghan Hsu
  - Ronaldo Giro
  - et al.
- 2022
- APS March Meeting 2022
AI-driven predictions of binding trends of SARS-CoV-2 variants from atomistic simulations
- - Sara Capponi
- 2022
- APS March Meeting 2022
AI-based analysis of microbial ecological dynamics
- - Shangying Wang
  - Simone Bianco
- 2022
- APS March Meeting 2022
Generalized Key-Value Memory to Flexibly Adjust Redundancy in Memory-Augmented Networks
- - Denis Kleyko
  - Kumudu Geethan Karunaratne
  - et al.
- 2022
- IEEE TNNLS