v0.3.8
What's Changed
- Fix compile_mode in MACECalculator by @hatemhelal in #632
- Update README.md using bibtex by @jcwang587 in #628
- Fix multihead prediction for eval_configs.py by @beckobert in #642
- Updating compiler support and test cases by @hatemhelal in #634
- Turn json keys representing elements into ints by @ThomasWarford in #652
- Fix file name of swa checkpoints by @beckobert in #648
- Increasing loss output digits by @vue1999 in #658
- Fix model paths by @ElliottKasoar in #654
- Density normalization by @ilyes319 in #667
- Bug fix and density normalization by @ilyes319 in #668
- List default arguments with --help by @vue1999 in #670
- Fixing multihead finetuning with density normalization by @CheukHinHoJerry in #682
- Add default argparser to main by @ilyes319 in #671
- fix case with multihead foundation model by @ilyes319 in #687
- Add DOI badge by @ilyes319 in #688
- fix name in foundation head args by @ilyes319 in #689
- bump version by @ilyes319 in #690
New Contributors
- @jcwang587 made their first contribution in #628
- @beckobert made their first contribution in #642
- @ThomasWarford made their first contribution in #652
- @CheukHinHoJerry made their first contribution in #682
Full Changelog: v0.3.7...v0.3.8