AGH ML and Chemoinformatics Lab (MLCIL)
- 12 followers
- Poland
- jadamczy@agh.edu.pl
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scikit-fingerprints
scikit-fingerprints PublicScikit-learn compatible library for molecular fingerprints and chemoinformatics
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MolPILE_dataset
MolPILE_dataset PublicMolPILE - large-scale, diverse dataset for molecular representation learning, https://arxiv.org/abs/2509.18353, https://huggingface.co/datasets/scikit-fingerprints/MolPILE
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benchmarking_molecular_models
benchmarking_molecular_models PublicCode for the article "Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning" https://arxiv.org/abs/2508.06199
Jupyter Notebook 4
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peptides_molecular_fingerprints_classification
peptides_molecular_fingerprints_classification PublicCode for paper "Molecular Fingerprints Are Strong Models for Peptide Function Prediction" https://arxiv.org/abs/2501.17901
Repositories
- scikit-fingerprints Public
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
scikit-fingerprints/scikit-fingerprints’s past year of commit activity - peptides_molecular_fingerprints_classification Public
Code for paper "Molecular Fingerprints Are Strong Models for Peptide Function Prediction" https://arxiv.org/abs/2501.17901
scikit-fingerprints/peptides_molecular_fingerprints_classification’s past year of commit activity - MolPILE_dataset Public
MolPILE - large-scale, diverse dataset for molecular representation learning, https://arxiv.org/abs/2509.18353, https://huggingface.co/datasets/scikit-fingerprints/MolPILE
scikit-fingerprints/MolPILE_dataset’s past year of commit activity - benchmarking_molecular_models Public
Code for the article "Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning" https://arxiv.org/abs/2508.06199
scikit-fingerprints/benchmarking_molecular_models’s past year of commit activity
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