Releases: Steinbeck-Lab/cheminformatics-microservice
Releases · Steinbeck-Lab/cheminformatics-microservice
v3.3.1
3.3.1 (2025-06-10)
Features
- decimer tests updated (7341fda)
Bug Fixes
- classyfier tests (763c6e7)
- decimer to work on low res images (b99b9e2)
- ignore deadlinks in docs (678b249)
- link documentation & CFF update (3d61c12)
- link documentation & CFF update (d120c43)
- remove frontend build step from prod workflow (565eb66)
- remove frontend build step from prod workflow (c2cd46b)
- remove test for python 3.10 (8563f0b)
- remove unused tests (a7d3655)
- remove unused tests (860e889)
- test images (2961ab3)
- update decimer (065ce64)
- Update GitHub Actions workflows (0227ab7)
- update prod build workflow (698d6f8)
- update prod build workflow (87a8bfd)
- Update production build workflow (5bc43c9)
Documentation
- update documentation (9dd5170)
v3.3.0
v3.2.0
3.2.0 (2025-05-26)
Features
- chain filters (ed2675b)
- dev & prod build updates and prod docker compose updates (469be59)
- dev docker compose updates (0a36e50)
- InChI generator (7ada690)
- RInChI and InChI cleanup (9e4a7d4)
- SMARTS convertion (ef2f1fc)
- SMARTS convertion test (5130668)
- updated docker compose to include frontend and api. enabled lite mode docker compose (d5c041d)
- various minor updates and tidyup (a65d76d)
Bug Fixes
- about page (35e14f6)
- add comments to github workflows (298e7ec)
- add healthcheck to docker-compose-prod.yml (1558f75)
- Chain filters frontend (ef23d65)
- docker-compose files for dev and prod env (abe820e)
- filter updates (c628349)
- fix syntax error in prod-build.yml (4464d9f)
- frontend adjustments (d19719f)
- prod-build.yml (ac44bf4)
- removed container name from docker-compose (93e12bb)
- setOrgMet default on (11ce740)
- update clear InChI logs to frontend (e104222)
- update docker-compose and deployment script (4d62c87)
- update Github action to add build condition (640670f)
- update release-please (b8e44f4)
v3.1.0
3.1.0 (2025-04-07)
Features
- about page (cd43905)
- get smiles from pubchem (c1a2f02)
- improved home page (2b804f5)
- include information about frontend README.md (fd1a852)
- legal pages (d504c6b)
- Microservices Frontend (76331ed)
- Pubchem serach and depict (de778ad)
- PubChem serach for frontend (525322b)
- structure drawing component (49d3953)
- update ketcher to 3.1.0 (2dbf26c)
Bug Fixes
- 3D molecule depiction disclaimer (30749a1)
- backend app port (9107140)
- dfg logo and footer (bab91ad)
- ketcher CORS issue (90bab16)
- molecule card (9ce7687)
- naming convention (c6c1f76)
- openbabel logo (76163d4)
- pubchem retrieve (ec40b6c)
- sanitize html content Descriptors (5c89b4f)
- vite build (d0314e9)
- vite build (c47d8d0)