State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
- computer-vision
- deep-learning
- drug-discovery
- forecasting
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TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
A curated list of resources for machine learning for small-molecule drug discovery
- awesome-list
- machine-learning
- cheminformatics
- drug-discovery
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
- ai-aided-drug-discovery
- awesome
- drug-discovery
- molecular-docking
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
- ddi
- drug-synergy
- synergy-prediction
- deep-chemistry