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The catalog

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  • Molecular geometry optimization

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-geometry-optimization Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph construction from smiles

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-construction-from-smiles Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph construction pytorch geometric

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-construction-pytorch-geometric Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph encoder decoder training

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-encoder-decoder-training Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph feature representation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-feature-representation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph neural network adaptation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-neural-network-adaptation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph representation encoding

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-representation-encoding Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph representation handling

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-representation-handling Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph representation learning

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-representation-learning Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular graph representation parsing

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-graph-representation-parsing Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular identifier completeness verification

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-identifier-completeness-verification Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular model benchmark comparison

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-model-benchmark-comparison Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network annotation integration

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-annotation-integration Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network attribute enrichment

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-attribute-enrichment Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network clustering and analysis

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-clustering-and-analysis Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network construction for metabolomics

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-construction-for-metabolomics Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network feature annotation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-feature-annotation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network graph construction

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-graph-construction Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network graph manipulation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-graph-manipulation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network graph parsing

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-graph-parsing Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network metadata organization

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-metadata-organization Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular network node annotation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-network-node-annotation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular networking construction

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-networking-construction Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular networking parameter configuration

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-networking-parameter-configuration Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular property data structuring

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-property-data-structuring Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular property prediction feature construction

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-property-prediction-feature-construction Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular representation encoding

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-representation-encoding Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular representation learning

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-representation-learning Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular similarity calculation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-similarity-calculation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular spectrum prediction baseline

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-spectrum-prediction-baseline Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure alignment

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-alignment Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure attribution

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-attribution Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure canonicalization and validation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-canonicalization-and-validation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure conformer generation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-conformer-generation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure dataset curation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-dataset-curation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure decoding

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-decoding Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure encoding

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-encoding Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure file format handling

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-file-format-handling Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure file parsing

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-file-parsing Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure generation evaluation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-generation-evaluation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure graph representation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-graph-representation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure ground truth matching and accuracy evaluation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-ground-truth-matching-and-accuracy-evaluation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure input format handling

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-input-format-handling Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure input formatting

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-input-formatting Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure parsing rdkit

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-parsing-rdkit Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure prediction evaluation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-prediction-evaluation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure prediction from spectra

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-prediction-from-spectra Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure prediction out of distribution

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-prediction-out-of-distribution Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure prediction validation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-prediction-validation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure reconstruction from embeddings

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-reconstruction-from-embeddings Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure representation learning

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-representation-learning Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure tensor encoding

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-tensor-encoding Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure to graph conversion

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-to-graph-conversion Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure to vector encoding

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-to-vector-encoding Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure tokenization smiles

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-tokenization-smiles Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure transformation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-transformation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular structure validation

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-structure-validation Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular transformation frequency filtering

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-transformation-frequency-filtering Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular weight inference comparison

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-weight-inference-comparison Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder

  • Molecular weight prediction from ei ms

    HolobiomicsLab/asb-skill-collections/collections/metabolomics/v2/skills/molecular-weight-prediction-from-ei-ms Skill

    15★ repo

    Curated, evidence-grounded skill and software-tool collections for scientific AI agents, generated by the AgenticScienceBuilder