0.14.1

What's Changed

• Fix for COMP6v1 forces by @stefdoerr in #264
• Remove some old TODOs that are now solved by @RaulPPelaez in #261
• Update Examples by @RaulPPelaez in #263
• Add some type check in create_model by @RaulPPelaez in #268
• Fix inifinite recursion error on OSX by @RaulPPelaez in #269

Full Changelog: 0.14.0...0.14.1

0.14.0

What's Changed

• Refactoring memmapped dataset classes by @stefdoerr in #256
• correct paths for processed files. bugfix for last PR by @stefdoerr in #258
• added comp6v2 dataset by @stefdoerr in #257
• Unique COMP6 GDB molecule IDs by @stefdoerr in #262
• Adding vector feature cutoff to ET by @RaulPPelaez in #260
• Genentech torsions by @stefdoerr in #259

Full Changelog: 0.13.0...0.14.0

0.13.0

What's Changed

• Update README.md by @guillemsimeon in #251
• Add check_errors option by @RaulPPelaez in #253
• Ani-2x dataloader by @stefdoerr in #252
• Preload small datasets to memory in Custom dataset by @RaulPPelaez in #235

Full Changelog: 0.12.0...0.13.0

0.12.0

What's Changed

• Update installation instructions regarding CUDA by @RaulPPelaez in #250
• Add PBC support by @RaulPPelaez in #201

Full Changelog: 0.11.0...0.12.0

0.11.0

What's Changed

• [WIP] fix stride warning by @AntonioMirarchi in #234
• Improve documentation by @RaulPPelaez in #224
• Add missing parse_args from previous bad merge by @RaulPPelaez in #241
• Mark Transformer as deprecated by @RaulPPelaez in #240
• Update LICENSE by @giadefa in #243
• Update LICENSE by @giadefa in #244
• Update TensorNet-ANI1X.yaml by @guillemsimeon in #247
• Update tensornet.py by @guillemsimeon in #246
• Add copyright notice to every python script by @RaulPPelaez in #245
• Update dependencies and CUDA install documentation by @RaulPPelaez in #248

Full Changelog: 0.10.0...0.11.0

0.10.0

What's Changed

• Remove dependency on torch_scatter and torch_sparse by @RaulPPelaez in #229

Full Changelog: 0.9.0...0.10.0

0.9.0

What's Changed

• Update README with conda-forge installation by @RaulPPelaez in #237
• Add support for charged molecules in TensorNet (total charge) by @guillemsimeon in #238

Full Changelog: 0.8.1...0.9.0

0.8.1

What's Changed

• Add option to run External through a CUDA graph by @RaulPPelaez in #222
• Fix trying to detach a float number in LNNP by @RaulPPelaez in #233

Full Changelog: 0.8.0...0.8.1

0.8.0

What's Changed

• Fix Tensornet accuracy bug by @RaulPPelaez in #236

Full Changelog: 0.7.1...0.8.0

0.7.1

What's Changed

• Update TensorNet-QM9.yaml by @guillemsimeon in #230
• Tweak over protective tests by @RaulPPelaez in #232

Full Changelog: 0.7.0...0.7.1