TensorGraph Consolidation
This major version release consolidates around TensorGraph as DeepChem's high-level deep learning API of choice. Lots of improvements and bugfixes have been made to the core TensorGraph library, and many new layers and models have been added. In particular, DeepChem now features GANs, Seq2Seq models, Model Agnostic Meta Learning and more! Many improvements to tutorials, examples, website, and installation have been added as well.
Our thanks to all the developers who contributed to this release, with a particular shout-out to those who made their first PRs to DeepChem!
Detailed Changes:
- TensorGraph Improvements (#693, #705, #723, #730, #731, #746, #751, #753, #758, #760, #763, #766, #774, #778, #782, #783, #788, #791, #794, #799, #811, #817, #822, #824, #826, #833, #847, #850, #853, #854, #860, #871)
- RL Improvements: Hindsight Experience Replay, Proximal Policy Optimization, API cleanup (#686, #688, #697, #713, #719, #729, #740)
- IPython Notebook Improvements (#703, #706, #709, #711, #717, #721, #727, #745, #750, #829)
- Cleaning up examples (#755, #816, #819, #830, #840)
- MoleculeNet Improvements (#696, #718, #772, #854, #880, #738)
- Rehaul Website (#800, #801, #806, #807)
- Improvements and extensions to
dc.splits(#690, #765, #784) - Improvements to rdkit-grid-featurizer (#868, #873, #883)
- Miscellaneous cleanups/fixes (#701, #712, #724, #732, #735, #739, #796, #848, #885,
- DeepChem installation/import improvements (#737, #793, #802, #803, #804, #813, #814, #815, #852, #857, #859, #885, #888)
Detailed listing of new models added: