Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
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- Materials Discovery
3488 results for Materials Discovery
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
Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII
- Alberto Toffano
- John Russo
- et al.
- 2022
- The Journal of Chemical Physics
Chemical space analysis and property prediction for carbon capture amine molecules
- James McDonagh
- Stamatia Zavitsanou
- et al.
- 2022
- ChemRxiv
MOTION: A High speed, low cost, low energy chip scale optical module for co-packaging on a first-level organic substrate for HPC and Data Centers
- Daniel M. Kuchta
- Mounir Meghelli
- et al.
- 2022
- Networks 2022
Dispersion engineering for Kerr frequency comb generation in gallium phosphide photonic crystal cavity resonators
- Alberto Nardi
- Johann Riemensberger
- et al.
- 2022
- NP 2022
Towards an Approximation-Aware Computational Workflow Framework for Accelerating Large-Scale Discovery Tasks
- Michael A. Johnston
- Vassils Vassiliadis
- 2022
- ApPLIED 2022
Molecular electronic refrigeration against parallel phonon heat leakage channels
- Fatemeh Tabatabaei
- Samy Merabia
- et al.
- 2022
- Nanoscale
Steady-like topology of the dynamical hydrogen bond network in supercooled water
- 2022
- PNAS Nexus
Molecular Descriptors Based on Global Structure Information of Substructures
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- JSAI 2022