ALCHIMIA - Advanced Learning for Chemistry Interpretation and Integrated Molecule Analysis
- 2024
- MRS Fall Meeting 2024
Publications
Date
Featured collections
Popular topics
444 results for Accelerated Discovery
Analysis of docking for binding affinity prediction
- Raúl Fernández Díaz
- Denis Shields
- et al.
- 2024
- ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- ACS Fall 2024
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- Tim Erdmann
- Sarath Swaminathan
- et al.
- 2024
- MRS Spring Meeting 2024
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacement
- 2024
- ACS Spring 2024
Spatial Inequities of Heat Vulnerability: Preliminary Findings from African Urban Centers
- Craig Mahlasi
- Sibusisiwe Makhanya
- et al.
- 2023
- AGU Fall 2023
A transformer based large-scale molecular representation model
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2023
- MRS Fall Meeting 2023
Autoencoder based on Graph and Recurrent Neural Networks and Application to Property Prediction
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- MRS Fall Meeting 2023
Accelerated Electrolyte Discovery using Data Driven Approach
- 2023
- ACS Fall 2023
Tool to isolate and identify impactful submolecular motifs – rBRICS
- 2023
- ACS Fall 2023