Commits

Branch selector

 main

User selector

All users

All time

Commit History

Commits on May 20, 2026

• Merge pull request #1 from elkins/alert-autofix-1

  Show description for 3f3735f
  elkins

  authored
  3f3735f

  Copy full SHA for 3f3735f

• Potential fix for code scanning alert no. 1: Workflow does not contain permissions

  Show description for dcf74d4
  

  elkins

  and

  github-advanced-security[bot]

  authored
  dcf74d4

  Copy full SHA for dcf74d4

Commits on May 16, 2026

• google ownership html

  elkins

  committed
  8af930d

  Copy full SHA for 8af930d

• chore: add synth-pdb and synth-nmr to dev dependencies

  elkins

  committed
  cb3a9fd

  Copy full SHA for cb3a9fd

• test: make synth-pdb parity tests optional to ensure portability

  elkins

  committed
  0aacb81

  Copy full SHA for 0aacb81

• chore: synchronize geometry kernels with synth-pdb and Praxeolitic conventions

  elkins

  committed
  36b6a7e

  Copy full SHA for 36b6a7e

• test: verify parity with synth-pdb and update roadmap

  elkins

  committed
  b79a657

  Copy full SHA for b79a657

• feat: implement advanced NMR kernels, Ensemble API, and scientific validation

  Show description for fe201ad
  elkins

  committed
  fe201ad

  Copy full SHA for fe201ad

• docs: add detailed Use Cases section

  elkins

  committed
  7cd49d3

  Copy full SHA for 7cd49d3

Commits on May 15, 2026

• docs: add site_url to mkdocs config

  elkins

  committed
  6f5ae0b

  Copy full SHA for 6f5ae0b

• docs: simplify mkdocstrings configuration to defaults

  elkins

  committed
  8682df8

  Copy full SHA for 8682df8

• docs: fix mkdocstrings configuration for modern version

  elkins

  committed
  14c42b6

  Copy full SHA for 14c42b6

• docs: fix documentation URL in README

  elkins

  committed
  556c146

  Copy full SHA for 556c146

• docs: add documentation website link to README

  elkins

  committed
  1efbdf4

  Copy full SHA for 1efbdf4

• chore: add GitHub workflow for documentation deployment

  elkins

  committed
  3269bf0

  Copy full SHA for 3269bf0

• test: make geometry and kabsch parity tests self-contained

  elkins

  committed
  fda8da1

  Copy full SHA for fda8da1

• chore: stop tracking files that should be ignored

  elkins

  committed
  549de29

  Copy full SHA for 549de29

• chore: add .gitignore and GitHub test workflow

  elkins

  committed
  431d84c

  Copy full SHA for 431d84c

• test: suppress RuntimeWarning in SAXS parity test reference

  elkins

  committed
  87ce3d7

  Copy full SHA for 87ce3d7

• feat: enhance geometry engine and NMR RDC modeling

  Show description for 703083b
  elkins

  committed
  703083b

  Copy full SHA for 703083b

• feat: initial alpha release of DiffBiophys

  Show description for 226d009
  elkins

  committed
  226d009

  Copy full SHA for 226d009