Release 0.9.4
What's Changed
- Stop uploading coverage reports on nightly CI runs by @mikemhenry in #932
- Use energy and sampler context caches in simulations by @ijpulidos in #938
- Cleanup and bugfixes for FAH generator for small molecule transformations by @jchodera in #909
- Fixes to visualization module by @zhang-ivy in #944
- Add CLI that creates dummy output files and validates input by @mikemhenry in #934
- Release 0.9.4 by @ijpulidos in #941
Full Changelog: 0.9.3...0.9.4
Benchmark data
Benchmarks run with small molecule force field (ff) and protein ff, openff-2.0.0
and ff14SB
, respectively.