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    16 repositories

    • sampleworks

      Public
      Framework for modified sampling from biomolecular generative models
      Python
      •
      MIT License
      •7•18•33•8•Updated Jul 1, 2026Jul 1, 2026

    • diff-use.github.io

      Public
      SCSS
      •4•0•0•0•Updated Jul 1, 2026Jul 1, 2026

    • logbook

      Public
      Analysis notebooks for project diffUSE
      HTML
      •
      Creative Commons Zero v1.0 Universal
      •0•2•0•0•Updated Jul 1, 2026Jul 1, 2026

    • macromolecular-observables

      Public
      An package for conveying and transforming information about proteins--ensembles, structures, and measurements. A joint project of Radial Science and Reciprocal …
      Python
      •
      MIT License
      •0•1•0•0•Updated Jun 30, 2026Jun 30, 2026

    • md-workflows

      Public
      Python
      •1•0•0•0•Updated Jun 30, 2026Jun 30, 2026

    • pdbx_hierarchy

      Public
      Tools for working with hierarchical heterogeneity mmcif models
      Python
      •
      MIT License
      •0•1•0•0•Updated Jun 30, 2026Jun 30, 2026

    • SuperWater

      Public
      Implementation for SuperWater
      Python
      •
      MIT License
      •6•0•0•0•Updated Jun 26, 2026Jun 26, 2026

    • WaterFlow

      Public
      Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.
      Python
      •1•2•30•7•Updated Jun 24, 2026Jun 24, 2026

    • mdx2

      Public
      Diffuse scattering data reduction in python
      Python
      •
      MIT License
      •3•0•37•0•Updated Jun 17, 2026Jun 17, 2026

    • qFitLatent

      Public
      a model to learn qFit multi conformer dynamics with an invariant backbone
      Python
      •0•2•0•0•Updated Jun 16, 2026Jun 16, 2026

    • PSEUDO

      Public
      PSEUDO: Computational framework for debiasing and experimental uncertainty quantification in protein structural models
      Python
      •
      Mozilla Public License 2.0
      •2•0•0•0•Updated Jun 9, 2026Jun 9, 2026

    • mdx2-workflows

      Public
      Python
      •0•0•0•0•Updated May 4, 2026May 4, 2026

    • mmcif_encoding

      Public
      Examples and descriptions related to mmcif Encoding of hierarchical heterogeneity.
      0•1•0•0•Updated Apr 29, 2026Apr 29, 2026

    • goodvibes

      Public
      Lattice vibration model for diffuse scattering
      Python
      •0•0•0•0•Updated Apr 13, 2026Apr 13, 2026

    • tortoize

      Public
      Application to calculate ramachandran z-scores, now with Python bindings
      C++
      •
      Other
      •1•0•1•0•Updated Feb 3, 2026Feb 3, 2026

    • density-fitness

      Public
      Application to calculate the density statistics (RSR, SRSR, RSCCS, EDIAm and OPIA) for x-ray structures, now with some Python bindings!
      C++
      •
      BSD 2-Clause "Simplified" License
      •2•0•0•0•Updated Jan 19, 2026Jan 19, 2026
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