Published August 7, 2023
| Version 0.2.1
Software
Open
openforcefield/openff-fragmenter: 0.2.1
Creators
- 1. @rahko-ai
- 2. @openforcefield
- 3. @cole-group
- 4. Memorial Sloan Kettering Cancer Center
- 5. Open Molecular Software Foundation
- 6. Flagship Pioneering
Description
What's Changed
- Fix test_depiction now that toolkit doesn't handle radicals by @j-wags in https://github.com/openforcefield/openff-fragmenter/pull/151
- Add link to OpenFF install guide by @Yoshanuikabundi in https://github.com/openforcefield/openff-fragmenter/pull/157
- Fail OpenEye checks if installed but not licensed by @mattwthompson in https://github.com/openforcefield/openff-fragmenter/pull/164
- Test on Pydantic v1 and v2 by @mattwthompson in https://github.com/openforcefield/openff-fragmenter/pull/165
- Remove use of
pkg_resourcesby @mattwthompson in https://github.com/openforcefield/openff-fragmenter/pull/166
- @j-wags made their first contribution in https://github.com/openforcefield/openff-fragmenter/pull/151
Full Changelog: https://github.com/openforcefield/openff-fragmenter/compare/0.2.0...0.2.1
Files
openforcefield/openff-fragmenter-0.2.1.zip
Files
(87.0 kB)
| Name | Size | Download all |
|---|---|---|
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md5:46ca6a71f7e112a8260601f1f85cef0a
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87.0 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/openforcefield/openff-fragmenter/tree/0.2.1 (URL)