This new release of NAGL fixes a bug in which charges could not be applied to some large molecules and includes some developer-facing tooling and automation improvements.
What's Changed
- Do not use
defaultschannel in environments by @mattwthompson in #162 - Add patch for long inchis by @lilyminium in #165
- Switch back to using
pyproject.tomlto build by @mattwthompson in #169 - Update RTD config by @mattwthompson in #172
- Update/fix docs builds by @mattwthompson in #176
- Finalize 0.5.1 release notes by @mattwthompson in #175
Full Changelog: v0.5.0...v0.5.1
Contributors
mattwthompson and lilyminium