0.4.5

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_shape docstring 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 padding argument 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