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tcren 4.4.3 documentation

  • Frozen confidence-dependent recognition score
  • Figure gallery
  • Install and rank models
  • Reproduce structural calculations
  • Task-specific ranking scores
    • MD trajectory validation
    • Batching and performance
    • Working with modelled complexes
    • Reference dependencies and historical models
    • Choose the confidence context
    • Three-proportion recognition score
    • Residue contact motifs above background
    • Beyond the contact sum
    • The amino-acid background, in 3D
    • Screen a cohort
    • MHC annotation and supplied alleles
    • Interface feature reference
    • Every descriptor, with its units
    • Potentials
    • Experimental contact penalties
    • Generated-model inspection
    • pMHC feature–performance associations
    • Evaluation and reproduction commands
    • API reference
    • CDR3 chemical-neighborhood diagnostics
    • Within-residue atom-pattern potential — frozen design, 21 October 2026
    • Inventory-aware whole contact patterns
    • Chemical core: frozen numerical specification
    • Experimental ranking APIs
    • Structure summary (oracle)
    • Assessing a modelled complex
    • Historical contact-map Potts model
    • Reliability: scoring one modelled structure
    • TCRvdb: replay the frozen score and inspect recorded figure tables
    • 2D complementarity maps
    • 3D peptide-binding pocket with CDR overlay
    • The canonical TCR-pMHC frame — figures & summary
    • PyMOL renders of canonically-oriented TCR–pMHC complexes
    • Contact thresholds & bond types across all region pairs
    • MHC pseudosequence (MPS) vs. peptide contacts
    • Example — GILGFVFTL / HLA-A*02:01 and the CDR3β Arg–Ser motif
    • tcren · pMHC surface topography
  • Frozen confidence-dependent recognition score
  • Figure gallery
  • Install and rank models
  • Reproduce structural calculations
  • Task-specific ranking scores
  • MD trajectory validation
  • Batching and performance
  • Working with modelled complexes
  • Reference dependencies and historical models
  • Choose the confidence context
  • Three-proportion recognition score
  • Residue contact motifs above background
  • Beyond the contact sum
  • The amino-acid background, in 3D
  • Screen a cohort
  • MHC annotation and supplied alleles
  • Interface feature reference
  • Every descriptor, with its units
  • Potentials
  • Experimental contact penalties
  • Generated-model inspection
  • pMHC feature–performance associations
  • Evaluation and reproduction commands
  • API reference
  • CDR3 chemical-neighborhood diagnostics
  • Within-residue atom-pattern potential — frozen design, 21 October 2026
  • Inventory-aware whole contact patterns
  • Chemical core: frozen numerical specification
  • Experimental ranking APIs
  • Structure summary (oracle)
  • Assessing a modelled complex
  • Historical contact-map Potts model
  • Reliability: scoring one modelled structure
  • TCRvdb: replay the frozen score and inspect recorded figure tables
  • 2D complementarity maps
  • 3D peptide-binding pocket with CDR overlay
  • The canonical TCR-pMHC frame — figures & summary
  • PyMOL renders of canonically-oriented TCR–pMHC complexes
  • Contact thresholds & bond types across all region pairs
  • MHC pseudosequence (MPS) vs. peptide contacts
  • Example — GILGFVFTL / HLA-A*02:01 and the CDR3β Arg–Ser motif
  • tcren · pMHC surface topography

Section Navigation

  • tcren package
  • API reference

API reference#

  • tcren package
    • Structure I/O
    • Annotation
    • MHC mapping
    • Contacts and per-residue geometry
    • The descriptor catalogue
    • Topology: the shape of the contact set
    • Energetics: sums of a pair potential, and differences of them
    • Mechanics: the contact map as something that can break
    • Docking geometry and canonical orientation
    • Potentials
    • The score set
    • Fit-free cohort scores
    • Epitope scoring and ranking
    • Peptide substitution and refinement
    • Data paths, metadata and provenance
    • Analysis
    • 2D projection and visualization
    • Reference data and reproduction
    • Command line

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Evaluation and reproduction commands

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tcren package

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