Advanced machine learning for Innovative Drug Discovery (AIDD)
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registry-factory
registry-factory PublicAn abstract implementation of the registry design pattern proposed in (Hartog et. al., 2023). Provides a factory for registries that dynamically organize modular functionalities.
Python 8
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augmented-xai
augmented-xai PublicForked from PeterHartog/augmented-xai
Repository with code related to publication "Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition"
Jupyter Notebook
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hyper-dti
hyper-dti PublicForked from ml-jku/hyper-dti
HyperPCM: Robust task-conditioned modeling of drug-target interactions
Python
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reaction-graph-link-prediction
reaction-graph-link-prediction PublicForked from MolecularAI/reaction-graph-link-prediction
Python
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Repositories
- Properties-to-molecules-Inverse-Mapping Public Forked from AleFalla/Properties-to-molecules-Inverse-Mapping
Mapping properties to molecules in QM7-X
aidd-msca/Properties-to-molecules-Inverse-Mapping’s past year of commit activity - MiDi Public Forked from cvignac/MiDi
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
aidd-msca/MiDi’s past year of commit activity - metis Public Forked from JanoschMenke/metis
Python-based GUI to collect Feedback of Chemist in Molecules
aidd-msca/metis’s past year of commit activity - registry-factory Public
An abstract implementation of the registry design pattern proposed in (Hartog et. al., 2023). Provides a factory for registries that dynamically organize modular functionalities.
aidd-msca/registry-factory’s past year of commit activity - reagent_emb_vis Public Forked from Academich/reagent_emb_vis
Reaction data exploration: a map of reagents with regions of similar reagent purpose.
aidd-msca/reagent_emb_vis’s past year of commit activity
