David E. Graff

Orcid: 0000-0003-1250-3329

According to our database1, David E. Graff authored at least 6 papers between 2020 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

On csauthors.net:

Bibliography

2024
Chemprop: A Machine Learning Package for Chemical Property Prediction.
J. Chem. Inf. Model., January, 2024

2023
Pareto Optimization to Accelerate Multi-Objective Virtual Screening.
CoRR, 2023

2022
pyscreener: A Python Wrapper for Computational Docking Software.
J. Open Source Softw., 2022

Self-Focusing Virtual Screening with Active Design Space Pruning.
J. Chem. Inf. Model., 2022

Roughness of Molecular Property Landscapes and Its Impact on Modellability.
J. Chem. Inf. Model., 2022

2020
Accelerating high-throughput virtual screening through molecular pool-based active learning.
CoRR, 2020


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