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1
InvarNet: Molecular property prediction via rotation invariant graph neural networks
Published 2024-12-01Subjects: Get full text
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2
Scikit-fingerprints: Easy and efficient computation of molecular fingerprints in Python
Published 2024-12-01Subjects: Get full text
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3
Insight mixed deep neural network architectures for molecular representation
Published 2024-12-01Subjects: Get full text
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4
Positional embeddings and zero-shot learning using BERT for molecular-property prediction
Published 2025-02-01Subjects: Get full text
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5
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
Published 2024-09-01Subjects: “…molecular property prediction (mpp)…”
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6
A GNN-Based QSPR Model for Surfactant Properties
Published 2024-11-01Subjects: “…molecular property prediction…”
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7
Causality-driven feature selection and domain adaptation for enhancing chemical foundation models in downstream tasks
Published 2025-01-01Subjects: Get full text
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