Releases: torchmd/torchmd-net
Releases · torchmd/torchmd-net
v2.4.10
v2.4.9
v2.4.9 release
2.4.8
What's Changed
- remove the mol_idx property as it was unused and also added extra req… by @stefdoerr in #361
Full Changelog: 2.4.7...2.4.8
Contributors
stefdoerr
Assets 2
2.4.7
What's Changed
- Fix HDF5 dataset consistency by @AntonioMirarchi in #356
- Support for pytorch 2.6
- New setup by @stefdoerr in #358
- blacken code by @stefdoerr in #359
- Update setup.py to check if WITH_CUDA is set by @szaman19 in #360
New Contributors
Full Changelog: 2.4.6...2.4.7
Contributors
szaman19, stefdoerr, and AntonioMirarchi
Assets 2
2.4.6
What's Changed
- CUSTOM MDCATH by @AntonioMirarchi in #341
- Add backup for metrics.csv by @AntonioMirarchi in #345
- Linux Aarch64 build fix by @stefdoerr in #354
Full Changelog: 2.4.5...2.4.6
Contributors
stefdoerr and AntonioMirarchi
Assets 2
2.4.5
Contributors
stefdoerr
Assets 2
2.4.4
- Fixed Windows CUDA build issues.
- Removed unneeded depencencies.
- Added support for configurable early stopping monitoring
Full Changelog: 2.4.3...2.4.4
2.4.3
2.4.1
f6c0c16
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RaulPPelaez
Raul
Hotfix to remove runtime dependency on ase.
Full Changelog: 2.4.0...2.4.1
2.4.0
What's Changed
- MDCATH by @AntonioMirarchi in #337
- Add GLU, Swish, Mish and SwiGLU by @RaulPPelaez in #334
- Add Huber loss, allow choosing training loss function from the yaml by @RaulPPelaez in #335
Full Changelog: 2.3.0...2.4.0
Contributors
RaulPPelaez and AntonioMirarchi