Cleaned ICML submission version
Pre-release
Pre-release
What's Changed
- Simplify and unify model configuration files by @vict0rsch in #26
- Config refactor: improving and standardizing configs and args by @vict0rsch in #25
- [WIP] Energy gradient as target for the Forces by @vict0rsch in #27
- Handle
QM9
dataset by @vict0rsch in #29 - Add notification mechanism by @vict0rsch in #28
- integrate QM9 dataset by @vict0rsch in #31
- Integrate QM7-X dataset by @vict0rsch in #32
- Gnn improvements by @AlexDuvalinho in #33
- Dev by @vict0rsch in #34
- Add line break in wandb_url.txt by @alexhernandezgarcia in #36
- Spherenet dig by @vict0rsch in #37
- Gnn improvements by @vict0rsch in #35
- ICML Clean-up by @vict0rsch in #38
- Dev by @vict0rsch in #30
Full Changelog: ai4mat-workshop...icml
What's Changed
- Simplify and unify model configuration files by @vict0rsch in #26
- Config refactor: improving and standardizing configs and args by @vict0rsch in #25
- [WIP] Energy gradient as target for the Forces by @vict0rsch in #27
- Handle
QM9
dataset by @vict0rsch in #29 - Add notification mechanism by @vict0rsch in #28
- integrate QM9 dataset by @vict0rsch in #31
- Integrate QM7-X dataset by @vict0rsch in #32
- Gnn improvements by @AlexDuvalinho in #33
- Dev by @vict0rsch in #34
- Add line break in wandb_url.txt by @alexhernandezgarcia in #36
- Spherenet dig by @vict0rsch in #37
- Gnn improvements by @vict0rsch in #35
- ICML Clean-up by @vict0rsch in #38
- Dev by @vict0rsch in #30
Full Changelog: ai4mat-workshop...icml-prelease