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Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking
  Scores

Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores

13 June 2024
Álvaro Ciudad
Adrián Morales-Pastor
Laura Malo
Isaac Filella-Merce
Víctor Guallar
Alexis Molina
ArXivPDFHTML

Papers citing "Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores"

2 / 2 papers shown
Title
Graph Neural Networks with Learnable Structural and Positional
  Representations
Graph Neural Networks with Learnable Structural and Positional Representations
Vijay Prakash Dwivedi
A. Luu
T. Laurent
Yoshua Bengio
Xavier Bresson
GNN
179
304
0
15 Oct 2021
Accelerating high-throughput virtual screening through molecular
  pool-based active learning
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
73
139
0
13 Dec 2020
1