Issues

• split out dependencies for website and db. toolkit deps for core only

  dependenciesdocsenvs
  jacksund/simmate#1193 · Filter by author jacksund opened on Nov 2, 2026

• add submit-workflows panel to desktop app

  desktop
  jacksund/simmate#1181 · Filter by author jacksund opened on Oct 28, 2026

• add enumerate panel to desktop app

  desktop
  jacksund/simmate#1180 · Filter by author jacksund opened on Oct 28, 2026

• add transform panel to desktop app

  desktop
  jacksund/simmate#1179 · Filter by author jacksund opened on Oct 28, 2026

• add auto-update version helper to desktop app (exe builds only)

  desktop
  jacksund/simmate#1178 · Filter by author jacksund opened on Oct 28, 2026

• add open-in-desktop buttons to web table ui

  desktopwebsite
  jacksund/simmate#1172 · Filter by author jacksund opened on Oct 27, 2026

• add xrd web ui component

  toolkitwebsite
  jacksund/simmate#1171 · Filter by author jacksund opened on Oct 27, 2026

• add phonon calc to qe

  quantum_espresso
  jacksund/simmate#1170 · Filter by author jacksund opened on Oct 27, 2026

• add molecular dynamics calc to qe

  quantum_espresso
  jacksund/simmate#1169 · Filter by author jacksund opened on Oct 27, 2026

• add band structure calc to qe

  quantum_espresso
  jacksund/simmate#1168 · Filter by author jacksund opened on Oct 27, 2026

• add density of states calc to qe

  quantum_espresso
  jacksund/simmate#1167 · Filter by author jacksund opened on Oct 27, 2026

• add 3d crystal viewer to desktop app

  desktop
  jacksund/simmate#1166 · Filter by author jacksund opened on Oct 27, 2026

• add sqlite prebuild download to data explorer web ui

  website
  jacksund/simmate#1161 · Filter by author jacksund opened on Oct 26, 2026

• add docker/podman installation helper and expose in desktop and cli

  configworkflows
  jacksund/simmate#1158 · Filter by author jacksund opened on Oct 26, 2026

• have row selection open a side window instead of full link in table views

  website
  jacksund/simmate#1157 · Filter by author jacksund opened on Oct 26, 2026

• add 'copy molecule' mini button for molecule images in table views

  website
  jacksund/simmate#1156 · Filter by author jacksund opened on Oct 26, 2026

• add s3 archive/backup method to base datastore class

  datastore
  jacksund/simmate#1153 · Filter by author jacksund opened on Oct 26, 2026

• update docs and refs to prefer datastore downloads over local database syncs

  datastoredocs
  jacksund/simmate#1152 · Filter by author jacksund opened on Oct 26, 2026

• add 3D structure animation to web ui for MD, relaxation, and phonons

  website
  jacksund/simmate#1151 · Filter by author jacksund opened on Oct 26, 2026

• make project addition and edits admin-only with message option for other users

  project_management
  jacksund/simmate#1150 · Filter by author jacksund opened on Oct 26, 2026

• add chatbot rest api so that desktop app can handle data lookups

  chatbotdesktop
  jacksund/simmate#1149 · Filter by author jacksund opened on Oct 26, 2026

• add user-specific api work items and workers

  compute
  jacksund/simmate#1147 · Filter by author jacksund opened on Oct 26, 2026

• enhance field restriction of rest api queries for private emails, names, and api keys

  website
  jacksund/simmate#1146 · Filter by author jacksund opened on Oct 26, 2026

• add datastore rest api so other services can query it

  datastore
  jacksund/simmate#1145 · Filter by author jacksund opened on Oct 26, 2026

• add project-specific folders and files for agentic tracking

  project_management
  jacksund/simmate#1144 · Filter by author jacksund opened on Oct 26, 2026