Torchmd

Hotfix to remove runtime dependency on ase.

**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/2.4.0...2.4.1

What's Changed
* MDCATH by AntonioMirarchi in https://github.com/torchmd/torchmd-net/pull/337
* Add GLU, Swish, Mish and SwiGLU by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/334
* Add Huber loss, allow choosing training loss function from the yaml by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/335


**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/2.3.0...2.4.0

What's Changed
* Disable persistent_workers with num_workers=0 and disable pin_memory in DataModule by sef43 in https://github.com/torchmd/torchmd-net/pull/322
* Disable persistent_workers completely, enable pin_memory in DataModule by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/325
* Disable TF32 usage by default by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/327
* Update environment file by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/329
* Disable EMA if the user inputs 0 for alpha by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/330
* Add SPICE 2.0.1, Fix bug in MemmappedDataset by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/333
* MACE-OFF dataset by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/332

New Contributors
* sef43 made their first contribution in https://github.com/torchmd/torchmd-net/pull/322

**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/2.2.0...2.3.0

What's Changed
* Fix HDF5 not understanding some files by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/313
* Allow to configure the depth of the MLP in output modules by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/314
* torch.compile neighbors without graph breaks by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/305
* Filter non used sample values in QM9 by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/316
* Fix pre-MLP model loading by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/318
* Enable allow_pickle to be able to specify splits. by brian8128 in https://github.com/torchmd/torchmd-net/pull/319

New Contributors
* brian8128 made their first contribution in https://github.com/torchmd/torchmd-net/pull/319

**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/2.1.0...2.2.0

What's Changed
* add arg to MemmappedDataset by AntonioMirarchi in https://github.com/torchmd/torchmd-net/pull/295
* Add custom training loop to the docs by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/298
* Add SPICE 1.1.4, remove leftover remove_ref_energy in some datasets by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/303
* Added support for ensemble models by stefdoerr in https://github.com/torchmd/torchmd-net/pull/308
* Support for ensemble model zip files by stefdoerr in https://github.com/torchmd/torchmd-net/pull/311


**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/2.0.0...2.1.0