chemx-ext 0.3.0

External-program interfaces (xtb, CREST) and the RDKit-free fallback conformer generator for chemx.

Coverage
93%
93 out of 100 items documented0 out of 39 items with examples
Size
Source code size: 80.5 kB This is the summed size of all the files inside the crates.io package for this release.
Documentation size: 1.27 MB This is the summed size of all files generated by rustdoc for all configured targets
Ø build duration
this release: 6s Average build duration of successful builds.
all releases: 7s Average build duration of successful builds in releases after 2024-10-23.
Links
Repository
crates.io
Dependencies
Versions
- 0.4.0 (2026-06-15)
- 0.3.0 (2026-06-13)
Owners

chemx-ext — interfaces to external programs (xtb, CREST) and the RDKit-free fallback conformer generator.

The subprocess wrappers never require the external binary at build or test time: the input writers and output parsers are pure functions tested against vendored fixture strings (see PROVENANCE.md for the format sources), and binary detection ([xtb::find_xtb], [crest::find_crest]) returns a named [ExtError::BinaryNotFound] with install guidance when the program is absent.