0.4.5
Pre-release
Pre-release
What's Changed
- Fix JSON deserialization with preset charges by @mattwthompson in #1274
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1285
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1292
- Bump actions/checkout from 4 to 5 by @dependabot[bot] in #1293
- Fix
box_shapedocstring by @mattwthompson in #1294 - [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1303
- Bump OpenEye Toolkits to 2025 line by @mattwthompson in #1305
- Handle NAGLCharges by @j-wags in #1206
- Make
paddingargument optional, avoid over-specifying inputs by @mattwthompson in #1302 - Finalize 0.4.5 release notes by @mattwthompson in #1307
Full Changelog: v0.4.4...v0.4.5