Releases: materialsvirtuallab/megnet
Releases · materialsvirtuallab/megnet
v1.1.2
v1.1.2
- Add mvl_models in wheel release file
v1.1.1
v1.1.0
- Bug fix and version correction
v1.1.0
v1.1.0
- Bug fix and version correction
v1.0.3
v1.0.3
- Fix bug brought by migrating to tensorflow 2.0
- New elasticity models trained on 2019 MP data base
- Add meg command line tools
v1.0.1
v1.0.1
- New find_points_in_spheres algorithm in pymatgen for graph construction
v0.3.5
v0.3.4
- Change
convertor
to converter
in all model APIs
- Improve
ReduceLRUponNan
callback function
- @WardLT major contributions to the
MolecularGraph
class
- Add serialization methods for
local_env
classes
- delete
data/mp.py
v0.3.3
v0.3.3
- GraphModel and MEGNetModel now supports a metadata tag, which is included in
the JSON. (suggestion of @mkhorton).
- Misc bug fixes for edge cases as well as improved error messages for
mismatches in inputs.
v0.3.2
v0.3.2
- Implement the option for a scaler in models, which is used in efermi models at
the moment but also can be helpful for extensive quantities.
v0.3.1
v0.3.1
- Minor fixes to setup.py and licenses.