Torchmd

Latest version: v1.0.4

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2.0

What's Changed
* Use switching function for Coulomb prior by peastman in https://github.com/torchmd/torchmd-net/pull/287
* Update README.md by guillemsimeon in https://github.com/torchmd/torchmd-net/pull/294


**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/0.15.2...2.0.0

2.0.0

This release marks the first stable release of TorchMD-Net.

0.15.2

Another minor hotfix for CI tests.
**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/0.15.1...0.15.2

0.15.1

Minor fix for test https://github.com/torchmd/torchmd-net/commit/1bbb03aa36ea173e103d155aafb038b7d61db29d .

**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/0.15.0...0.15.1

0.15.0

What's Changed
* Add OpenMM integration example by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/272
* Float precision of energies by stefdoerr in https://github.com/torchmd/torchmd-net/pull/275
* Better handling of prior configuration by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/280
* Clean up some datasets by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/281
* Training with relative energies, infering with total energy. by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/279
* Mark standardize as deprecated by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/278
* Send atomref to correct device during training by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/284
* Make TorchMD_Net always return two tensors by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/283
* Fix EnergyRefRemover by stefdoerr in https://github.com/torchmd/torchmd-net/pull/285
* Learnable Atomref by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/282
* update ANI-2x training configuration by stefdoerr in https://github.com/torchmd/torchmd-net/pull/286
* Add dtype parameter to External by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/274

This release breaks compatibility with checkpoints trained with versions previous to 0.2.5. If you really need to load such a checkpoint with this version onward, you can try to patch this in:
https://github.com/torchmd/torchmd-net/commit/6abe17437f9dd9c1787c3c081bc784dfb08edc11

**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/0.14.2...0.15.0

0.14.2

What's Changed
* Small fix for OSX by RaulPPelaez in https://github.com/torchmd/torchmd-net/pull/270


**Full Changelog**: https://github.com/torchmd/torchmd-net/compare/0.14.1...0.14.2

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