Published June 5, 2023
| Version v0.9.0
Software
Open
cheminformatics-python-microservice
Authors/Creators
Description
0.9.0 (2023-06-05)
Features
- Add CIP annotations #136 (15406fd)
- Add CXSMILES conversion with CDK #156 (683d5f2)
- Add minimal logos (39ad833)
- Add RDKit 3D mol block #153 (0aa7836)
- added docs (1eff848)
- added versioning, HOSE codes and license details to the swagger docs. Fixes #138 #146 #154 (5ee91de)
- COCONUT Preprocessing #158 (c956db3)
- added base path to the vitepress config (2ff35e5)
- added default value (=None) to the query parameters decimer process end point (edf302a)
- Display mol block not SDF #139,#141 (180f734)
- Fastapi issues and coconut pipeline (d3db65d)
- linting issues fixed (d2d0fc5)
- logo text #140 (a7344e8)
- Move RDKit to use conda instead of PyPi #147 (d63ee30)
- rename to Calculated logP #137 (48defa0)
- reverted versioning changes and updated README (2c361a8)
- typo Update README.md (99cca68)
- Update CIP default = false (1a91133)
- Update README.md #140 (6ce9ccf)
- Version numbers README.md (d893be2)
Notes
If you use this software, please cite it as below.
Files
Steinbeck-Lab/cheminformatics-python-microservice-v0.9.0.zip
Files
(1.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:a235ec4ab8c4afd4d7eaefb590144947
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1.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/Steinbeck-Lab/cheminformatics-python-microservice/tree/v0.9.0 (URL)