Chemicalx

🚀 What's Changed

Models

* Implement MatchMaker by andrejlamov in https://github.com/AstraZeneca/chemicalx/pull/67
* Implement GCN-BMP by mughetto in https://github.com/AstraZeneca/chemicalx/pull/71
* Implement DeepDrug by kajocina in https://github.com/AstraZeneca/chemicalx/pull/68
* Implement DeepDDI by hzcheney in https://github.com/AstraZeneca/chemicalx/pull/63
* Implement CASTER by andriy-nikolov in https://github.com/AstraZeneca/chemicalx/pull/73
* Implement MHCADDI by sebastiandro in https://github.com/AstraZeneca/chemicalx/pull/74
* Implement DeepDDS by kkaris in https://github.com/AstraZeneca/chemicalx/pull/53
* Implement SSIDDI by YuWVandy in https://github.com/AstraZeneca/chemicalx/pull/77
* Implement DeepDDS and CASTER defaults and remove DeepDDS Softmax bug by benedekrozemberczki in https://github.com/AstraZeneca/chemicalx/pull/81
* Implement MRGNN by benedekrozemberczki in https://github.com/AstraZeneca/chemicalx/pull/82
* Simplify existing models by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/69
* Clean up models and provide abstractions by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/83

💾 Data Cleaning

* Clean up DrugBank and TWOSIDES importers by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/57
* Add additional datasets by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/61

🤖 Design

* Provide base class for dataset loaders by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/59
* Move back the BatchGenerator to the data namespace. by benedekrozemberczki in https://github.com/AstraZeneca/chemicalx/pull/80

🏠 House keeping

* Black update conformity by benedekrozemberczki in https://github.com/AstraZeneca/chemicalx/pull/66
* Remove check box that's automated with CI by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/64
* Standardize documentation style with `darglint` by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/70
* Update citations and add additional testing by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/72
* New release updates, citation modification and correcting paper references by benedekrozemberczki in https://github.com/AstraZeneca/chemicalx/pull/85

New Contributors
* andrejlamov made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/67
* kajocina made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/68
* mughetto made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/71
* hzcheney made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/63
* andriy-nikolov made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/73
* kkaris made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/53
* YuWVandy made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/77
* sebastiandro made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/74

**Full Changelog**: https://github.com/AstraZeneca/chemicalx/compare/v0.0.9...v0.1.0

**Full Changelog**: https://github.com/AstraZeneca/chemicalx/compare/v0.0.8...v0.0.9

What's Changed

* Add Dataset Resolver around Dataset Loader Class by cthoyt in https://github.com/AstraZeneca/chemicalx/pull/24
* DeepSynergy and EPGCN-DS by benedekrozemberczki in https://github.com/AstraZeneca/chemicalx/pull/27

**Full Changelog**: https://github.com/AstraZeneca/chemicalx/compare/v0.0.7...v0.0.8

- Context feature sets store feature vectors as torch.FloatTensors
- Drug feature sets store feature vectors as torch.FloatTensors

What's Changed
* Add base model and implement model class resolution by cthoyt
* Batch generators
* Batch class

New Contributors
* cthoyt made their first contribution in https://github.com/AstraZeneca/chemicalx/pull/18

**Full Changelog**: https://github.com/AstraZeneca/chemicalx/compare/v0.0.5...v0.0.6

- Adds Data Loaders for DrugComb and DrugCombDB 👾 🤖 🎃
- Drug Feature Set for feature storage 👾 🤖 🎃
- Labeled Triples 👾 🤖 🎃