Releases: torchmd/torchmd-net
Releases · torchmd/torchmd-net
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
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
0.7.0
What's Changed
- Remove dependency on torch_cluster by @RaulPPelaez in #228
Full Changelog: 0.6.0...0.7.0
0.6.0
What's Changed
- Change matplotlib to matplolib-base to reduce dependencies by @raimis in #225
- Unify torch extension compilation so that everything is compiled in setup.py by @RaulPPelaez in #227
Full Changelog: 0.5.0...0.6.0
0.5.0
What's Changed
- Make OutputModel aware of CUDA graph capturing. by @RaulPPelaez in #214
- Fix module.py by @AntonioMirarchi in #223
Full Changelog: 0.4.0...0.5.0
0.4.0
What's Changed
- Make TensorNet CUDA-graph compatible by @RaulPPelaez in #195
- Use update instead of |= so Trainer is compatible with Python 3.8 by @RaulPPelaez in #218
Full Changelog: 0.3.0...0.4.0
0.3.0
This release bumps all dependencies to be up to date with the latest conda-forge versions.
Also changes the torch extension compilation so that it happens during installation.
What's Changed
- Updating to Lightning 2.0 by @RaulPPelaez in #210
- Compile torch extension in setup.py by @RaulPPelaez in #216
Full Changelog: 0.2.7...0.3.0