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Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning
v1v2v3 (latest)

Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning

8 August 2025
Mateusz Praski
J. Adamczyk
Wojciech Czech
ArXiv (abs)PDFHTML

Papers citing "Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning"

4 / 4 papers shown
Freeze, Diffuse, Decode: Geometry-Aware Adaptation of Pretrained Transformer Embeddings for Antimicrobial Peptide Design
Freeze, Diffuse, Decode: Geometry-Aware Adaptation of Pretrained Transformer Embeddings for Antimicrobial Peptide Design
Pankhil Gawade
Adam Izdebski
Myriam Lizotte
Kevin R. Moon
Jake S. Rhodes
Guy Wolf
Ewa Szczurek
AI4CE
148
0
0
28 Nov 2025
Hash Collisions in Molecular Fingerprints: Effects on Property Prediction and Bayesian Optimization
Hash Collisions in Molecular Fingerprints: Effects on Property Prediction and Bayesian Optimization
Walter Virany
Austin Tripp
41
0
0
21 Nov 2025
Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization
Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization
Asma Jamali
Tin Sum Cheng
Rodrigo A. Vargas-Hernández
79
0
0
16 Oct 2025
MolPILE - large-scale, diverse dataset for molecular representation learning
MolPILE - large-scale, diverse dataset for molecular representation learning
Jakub Adamczyk
Jakub Poziemski
Franciszek Job
Mateusz Król
Maciej Makowski
AI4CE
124
0
0
22 Sep 2025
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