Search

Your search keyword '"Janet, Jon Paul"' showing total 215 results

Search Constraints

Start Over You searched for: Author "Janet, Jon Paul" Remove constraint Author: "Janet, Jon Paul"
215 results on '"Janet, Jon Paul"'

Search Results

1. PepINVENT: Generative peptide design beyond the natural amino acids

2. Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport

3. An end-to-end attention-based approach for learning on graphs

4. Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation

5. Towards Interpretable Models of Chemist Preferences for Human-in-the-Loop Assisted Drug Discovery

10. Graph Neural Networks with Adaptive Readouts

11. Ligand additivity relationships enable efficient exploration of transition metal chemical space

12. Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery

15. Understanding the diversity of the metal-organic framework ecosystem.

18. Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

19. Resolving transition metal chemical space: feature selection for machine learning and structure-property relationships

20. Predicting Electronic Structure Properties of Transition Metal Complexes with Neural Networks

24. Masked Attention is All You Need for Graphs

33. Representations and strategies for transferable machine learning improve model performance in chemical discovery.

36. Ligand additivity relationships enable efficient exploration of transition metal chemical space

38. Combining structural and coevolution information to unveil allosteric sites

44. A quantitative uncertainty metric controls error in neural network-driven chemical discovery

45. Representations and strategies for transferable machine learning improve model performance in chemical discovery

50. DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

Catalog

Books, media, physical & digital resources