Skip to content

v1.0.0
Compare
Choose a tag to compare
@shyuep shyuep released this 14 Feb 15:09
· 137 commits to main since this release
v1.0.0
b9f2e02
This commit was signed with the committer’s verified signature.
shyuep Shyue Ping Ong
SSH Key Fingerprint: 3HXi8plkcrVQzydQ1vbqQ9MfHg67TGetVGY/QOwMz9g Learn about vigilant mode.
  • First 1.0.0 release to reflect the maturity of the matgl code! All changes below are the efforts of @kenko911.
  • Equivariant TensorNet and SO3Net are now implemented in MatGL.
  • Refactoring of M3GNetCalculator and M3GNetDataset into generic PESCalculator and MGLDataset for use with all models
    instead of just M3GNet.
  • Training framework has been unified for all models.
  • ZBL repulsive potentials has been implemented.

Contributors

kenko911
Assets 2
Loading