Releases: microsoft/bioemu
Releases · microsoft/bioemu
1.0.0pre
v.1.0.0pre Merge branch 'main' into jjimenezluna/release1
0.1.12
What's Changed
- fix: don't require
ensurepipby @ryotatomioka in #120
Full Changelog: v.0.1.11...v.0.1.12
Contributors
ryotatomioka
Assets 2
0.1.11
What's Changed
- Increase
--maxkbinpre-commit-configby @josejimenezluna in #110 - feat: add afdb cluster definitions by @oabdin in #109
- Update README.md by @franknoe in #112
- add hpacker reference to readme by @thempel in #115
- fix: colabfold install by @josejimenezluna in #116
- Revert "chore: tie colabfold dir to the python executable (#104)" by @ryotatomioka in #118
New Contributors
Full Changelog: v.0.1.10...v.0.1.11
Contributors
franknoe, josejimenezluna, and 3 other contributors
Assets 2
0.1.10
What's Changed
- fix: avoid globally enabling stackprinter by @ryotatomioka in #108
- fix: remove debug slice by @thempel in #107
Full Changelog: v.0.1.9...v.0.1.10
Contributors
thempel and ryotatomioka
Assets 2
0.1.9
What's Changed
- chore: tie colabfold dir to the python executable by @josejimenezluna in #104
- Setting N=50 as default in DPMsolver by @franknoe in #105
- bump version to
0.1.9by @josejimenezluna in #106
Full Changelog: v.0.1.8...v.0.1.9
Contributors
franknoe and josejimenezluna
Assets 2
v.0.1.8
What's Changed
- fix: reconstructed sidechains saved in current dir by @josejimenezluna in #82
- minor chore: add progress bar while sampling by @josejimenezluna in #84
- Update README.md by @josejimenezluna in #88
- feat: Pass sys.executable to setup.sh to prevent installation issue by @ryotatomioka in #91
- fix: smarter
CONDA_PREFIXresolution during hpacker install by @josejimenezluna in #93 - chore: add
cache_so3_dirtosample.mainby @josejimenezluna in #98 - chore(deps): bump torch from ==2.4.0 to >=2.6.0, bump bioemu version to 0.1.8 by @dependabot in #101
- fix: more reliable MD relaxation & free MD by @thempel in #100
New Contributors
- @dependabot made their first contribution in #101
Full Changelog: v0.1.6...v.0.1.8
Contributors
josejimenezluna, thempel, and 2 other contributors
Assets 2
v0.1.7
What's Changed
- fix: reconstructed sidechains saved in current dir by @josejimenezluna in #82
- minor chore: add progress bar while sampling by @josejimenezluna in #84
- Update README.md by @josejimenezluna in #88
- feat: Pass sys.executable to setup.sh to prevent installation issue by @ryotatomioka in #91
- fix: smarter
CONDA_PREFIXresolution during hpacker install by @josejimenezluna in #93
Full Changelog: v0.1.6...v.0.1.7
Contributors
josejimenezluna and ryotatomioka
Assets 2
0.1.6
What's Changed
- chore: refactor
HPACKER_PYTHONBINby @josejimenezluna in #79 - Use venv instead of conda for colabfold installation by @ryotatomioka in #77
- fix: MD relaxation with multiple samples by @josejimenezluna in #81
Full Changelog: v0.1.5...v0.1.6
Contributors
josejimenezluna and ryotatomioka
Assets 2
0.1.5
What's Changed
- potential-fix: update
localcolabfoldby @josejimenezluna in #64 - chore: Add comment about multimers in README by @sarahnlewis in #69
- fix: skip MD relaxation if setup fails by @thempel in #68
- chore: use
colabfoldpip package by @josejimenezluna in #76 - bump version to
0.1.5by @josejimenezluna in #75
Full Changelog: 0.1.4...0.1.5
Contributors
josejimenezluna, sarahnlewis, and thempel