Version 0.3.0
What's Changed
- Get rid of large storage by @yuanqing-wang in #133
- Fix nonbonded force subtraction by @kntkb in #134, #140
- Exclude resonance variant input features by @yuanqing-wang in #148
Full Changelog: 0.2.4...0.3.0
Model Update
espaloma_0.3.0rc1.pt
is deployed as a release candidate for espaloma_0.3.0 (seenotes_for_espaloma-0.3.0rc1.pdf
for more details).- Please note that
notes_for_espaloma-0.3.0rc1.pdf
are temporal and manuscript describing the complete fitting process and assessment is forthcoming. - Please warn that espaloma_0.3.0 is no longer compatible with the 0.2.x models, and vice versa.